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CAS 103755-56-2 5-aMino-1-phenyl-1H-pyrazol-3-ol molecular structure lightbox
CAS RN: 103755-56-2

5-aMino-1-phenyl-1H-pyrazol-3-ol

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260620 100mg Out of stock Inquiry
Batchno.20250329 1g Out of stock Inquiry
Batchno.20260601 250mg Out of stock Inquiry
  • Product code: starshine_CAS103755-56-2
  • Purity/Analytical Methods: >99.0%
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103755-56-2 / 3-amino-2-phenyl-1H-pyrazol-5-one

5-amino-1-phenyl-1H-pyrazol-3-ol | 5-amino-1-phenyl-2,3-dihydro-1H-pyrazol-3-one | 3-amino-2-phenyl-1H-pyrazol-5-one

Standard CAS: 103755-56-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103755-56-2
Multi CAS
Yes
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
SMILES
C1=CC=C(C=C1)N2C(=CC(=O)N2)N
InChI
InChI=1S/C9H9N3O/c10-8-6-9(13)11-12(8)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,13)
InChIKey
ZRFVUVLAEDLCQE-UHFFFAOYSA-N
Synonyms
5-amino-1-phenyl-1H-pyrazol-3-ol 5-amino-1-phenyl-2,3-dihydro-1H-pyrazol-3-one 3-amino-2-phenyl-1H-pyrazol-5-one 5-amino-1-phenyl-1H-pyrazol-3(2H)-one NSC266159

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.8
TPSA
63.81

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
1
Consensus LogP
0.8
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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