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CAS 20737-63-7 3-(4-methoxyphenyl)-1H-pyrazol-5-amine hydrochloride molecular structure lightbox
CAS RN: 20737-63-7

3-(4-methoxyphenyl)-1H-pyrazol-5-amine hydrochloride

  • Product code: SSC-097640
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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: 5g
  • 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 20737-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

20737-63-7 / 5-(4-methoxyphenyl)-1H-pyrazol-3-amine;hydrochloride

Standard CAS: 20737-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20737-63-7
Multi CAS
No
Molecular Formula
C10H12ClN3O
Molecular Weight
225.670000
Exact Mass
225.066890
SMILES
COC1=CC=C(C=C1)C2=CC(=NN2)N.Cl
InChI
InChI=1S/C10H11N3O.ClH/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9;/h2-6H,1H3,(H3,11,12,13);1H
InChIKey
VSAIAKYHWHRHEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.24
TPSA
63.93

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

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

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