CAS RN: 1156602-69-5
1-(4-fluorophenyl)-1H-pyrazol-4-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250329 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1156602-69-5
- Purity/Analytical Methods: >99.0%
1156602-69-5 / 1-(4-fluorophenyl)pyrazol-4-amine
1-(4-fluorophenyl)-1H-pyrazol-4-amine | RefChem:425503 | 866-367-1
Basic Information
CAS
1156602-69-5
Multi CAS
No
Molecular Formula
C9H8FN3
Molecular Weight
177.180000
Exact Mass
177.070225
SMILES
C1=CC(=CC=C1N2C=C(C=N2)N)F
InChI
InChI=1S/C9H8FN3/c10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h1-6H,11H2
InChIKey
UBKWWOPAKRZWTI-UHFFFAOYSA-N
Synonyms
1-(4-fluorophenyl)-1H-pyrazol-4-amine
RefChem:425503
866-367-1
1-(4-fluorophenyl)pyrazol-4-amine
MFCD12192664
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.93
TPSA
43.84
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
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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