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CAS 1185169-37-2 (1-Methyl-1H-pyrazol-5-yl)MethanaMine hydrochloride molecular structure lightbox
CAS RN: 1185169-37-2

(1-Methyl-1H-pyrazol-5-yl)MethanaMine hydrochloride

  • Product code: SSC-018332
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185169-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1185169-37-2 / (2-methylpyrazol-3-yl)methanamine;hydrochloride

(1-Methyl-1H-pyrazol-5-yl)methanamine hydrochloride | MFCD04967244 | 5-(Aminomethyl)-1-methylpyrazole Hydrochloride

Standard CAS: 1185169-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185169-37-2
Multi CAS
No
Molecular Formula
C5H10ClN3
Molecular Weight
147.600000
Exact Mass
147.056325
SMILES
CN1C(=CC=N1)CN.Cl
InChI
InChI=1S/C5H9N3.ClH/c1-8-5(4-6)2-3-7-8;/h2-3H,4,6H2,1H3;1H
InChIKey
AOVKOFAPQXPNKB-UHFFFAOYSA-N
Synonyms
(1-Methyl-1H-pyrazol-5-yl)methanamine hydrochloride MFCD04967244 5-(Aminomethyl)-1-methylpyrazole Hydrochloride (2-methylpyrazol-3-yl)methanamine;hydrochloride 5-(Aminomethyl)-1-methylpyrazole HCl

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.35
TPSA
43.84

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.41

Drug-likeness / Medicinal Chemistry

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

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