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CAS 10523-64-5 2-(5-AMINO-1H-PYRAZOL-3-YL)-PHENOL molecular structure lightbox
CAS RN: 10523-64-5

2-(5-AMINO-1H-PYRAZOL-3-YL)-PHENOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10523-64-5
  • Purity/Analytical Methods: >99.0%
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10523-64-5 / 2-(3-amino-1H-pyrazol-5-yl)phenol

2-(5-amino-1H-pyrazol-3-yl)phenol | 2-(3-Amino-1H-pyrazol-5-yl)phenol | 2-(5-AMINO-1H-PYRAZOL-3-YL)-PHENOL

Standard CAS: 10523-64-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10523-64-5
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
SMILES
C1=CC=C(C(=C1)C2=CC(=NN2)N)O
InChI
InChI=1S/C9H9N3O/c10-9-5-7(11-12-9)6-3-1-2-4-8(6)13/h1-5,13H,(H3,10,11,12)
InChIKey
WPGFRHKUNZLFDA-UHFFFAOYSA-N
Synonyms
2-(5-amino-1H-pyrazol-3-yl)phenol 2-(3-Amino-1H-pyrazol-5-yl)phenol 2-(5-AMINO-1H-PYRAZOL-3-YL)-PHENOL Phenol,2-(5-amino-1H-pyrazol-3-yl)- SCHEMBL17355073

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.1
TPSA
74.93

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
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)
-2.82

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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