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CAS 1031793-29-9 3-(3-FLUORO-4-METHOXYPHENYL)-1H-PYRAZOL-5-YLAMINE, HCL molecular structure lightbox
CAS RN: 1031793-29-9

3-(3-FLUORO-4-METHOXYPHENYL)-1H-PYRAZOL-5-YLAMINE, HCL

  • Product code: SSC-004604
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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 1031793-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1031793-29-9 / 5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine;hydrochloride

3-(3-Fluoro-4-methoxyphenyl)-1h-pyrazol-5-ylamine, HCl | 3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-5-ylamine hydrochloride | 5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine;hydrochloride

Standard CAS: 1031793-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1031793-29-9
Multi CAS
No
Molecular Formula
C10H11ClFN3O
Molecular Weight
243.660000
Exact Mass
243.057468
SMILES
COC1=C(C=C(C=C1)C2=CC(=NN2)N)F.Cl
InChI
InChI=1S/C10H10FN3O.ClH/c1-15-9-3-2-6(4-7(9)11)8-5-10(12)14-13-8;/h2-5H,1H3,(H3,12,13,14);1H
InChIKey
PJUQPGBQJYWALO-UHFFFAOYSA-N
Synonyms
3-(3-Fluoro-4-methoxyphenyl)-1h-pyrazol-5-ylamine, HCl 3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-5-ylamine hydrochloride 5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine;hydrochloride MFCD06653169 3-Amino-5-(3-fluoro-4-methoxyphenyl)pyrazole Hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.19
TPSA
63.93

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.62

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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