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CAS 1354706-51-6 4-Ethynyl-1-isopropyl-1H-pyrazole molecular structure lightbox
CAS RN: 1354706-51-6

4-Ethynyl-1-isopropyl-1H-pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-043820
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1354706-51-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Beijing Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

1354706-51-6 / 4-ethynyl-1-propan-2-ylpyrazole

Standard CAS: 1354706-51-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1354706-51-6
Multi CAS
No
Molecular Formula
C8H10N2
Molecular Weight
134.180000
Exact Mass
134.084398
SMILES
CC(C)N1C=C(C=N1)C#C
InChI
InChI=1S/C8H10N2/c1-4-8-5-9-10(6-8)7(2)3/h1,5-7H,2-3H3
InChIKey
CCQVOMOPERINAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.55
TPSA
17.82

LogP / Solubility

WLOGP
1.45
MLOGP
1.26
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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