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CAS 1185293-23-5 1-Isopropyl-1H-pyrazol-4-aMine hydrochloride molecular structure lightbox
CAS RN: 1185293-23-5

1-Isopropyl-1H-pyrazol-4-aMine hydrochloride

  • Product code: SSC-018349
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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: 1g
  • Available purity: ＞97%
  • 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 1185293-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1185293-23-5 / 1-propan-2-ylpyrazol-4-amine;hydrochloride

1-Isopropyl-1H-pyrazol-4-amine hydrochloride | 4-Amino-1-isopropylpyrazole HCl | MFCD11506624

Standard CAS: 1185293-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185293-23-5
Multi CAS
No
Molecular Formula
C6H12ClN3
Molecular Weight
161.630000
Exact Mass
161.071975
SMILES
CC(C)N1C=C(C=N1)N.Cl
InChI
InChI=1S/C6H11N3.ClH/c1-5(2)9-4-6(7)3-8-9;/h3-5H,7H2,1-2H3;1H
InChIKey
OHQZEIIBJIFRHV-UHFFFAOYSA-N
Synonyms
1-Isopropyl-1H-pyrazol-4-amine hydrochloride 4-Amino-1-isopropylpyrazole HCl MFCD11506624 1-ISOPROPYL-1H-PYRAZOL-4-YLAMINE HYDROCHLORIDE 1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.27
TPSA
43.84

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.47
Consensus LogP
1.41
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.66

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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