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CAS 1107620-72-3 4-(Boc-aMinoMethyl)pyrazole molecular structure lightbox
CAS RN: 1107620-72-3

4-(Boc-aMinoMethyl)pyrazole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250501 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-011708
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g, 0.1g
  • Available purity: ≥98%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1107620-72-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 5 In Stock Hong Kong Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
0.1g ≥98% 2 In Stock Shenzhen Inquiry

1107620-72-3 / tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate

4-(Boc-aminomethyl)pyrazole | RefChem:515287 | 822-905-7

Standard CAS: 1107620-72-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1107620-72-3
Multi CAS
Yes
Molecular Formula
C9H15N3O2
Molecular Weight
197.230000
Exact Mass
197.116427
SMILES
CC(C)(C)OC(=O)NCC1=CNN=C1
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
QHQQGFZVUMTRDH-UHFFFAOYSA-N
Synonyms
4-(Boc-aminomethyl)pyrazole RefChem:515287 822-905-7 tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate MFCD12820298

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.66
TPSA
67.01

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
0.7
Consensus LogP
1.13
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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