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CAS 1025447-42-0 3-(3-METHOXYPHENYL)-1H-PYRAZOL-5-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1025447-42-0

3-(3-METHOXYPHENYL)-1H-PYRAZOL-5-AMINE HYDROCHLORIDE

  • Product code: SSC-003788
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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 1025447-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1025447-42-0 / 5-(3-methoxyphenyl)-1H-pyrazol-3-amine;hydrochloride

3-(3-Methoxyphenyl)-1H-pyrazol-5-amine hydrochloride | 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE HYDROCHLORIDE | MFCD05256460

Standard CAS: 1025447-42-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1025447-42-0
Multi CAS
Yes
Molecular Formula
C10H12ClN3O
Molecular Weight
225.670000
Exact Mass
225.066890
SMILES
COC1=CC=CC(=C1)C2=CC(=NN2)N.Cl
InChI
InChI=1S/C10H11N3O.ClH/c1-14-8-4-2-3-7(5-8)9-6-10(11)13-12-9;/h2-6H,1H3,(H3,11,12,13);1H
InChIKey
IXRIPOUUDUXBOP-UHFFFAOYSA-N
Synonyms
3-(3-Methoxyphenyl)-1H-pyrazol-5-amine hydrochloride 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE HYDROCHLORIDE MFCD05256460 5-Amino-3-(3-methoxyphenyl)pyrazole Hydrochloride 5-(3-Methoxy-phenyl)-2H-pyrazol-3-ylaminehydrochloride

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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