5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine

C16H13ClFN3 — CID 139405472

IUPAC5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(F)ccc1Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C16H13ClFN3/c1-10-8-13(18)6-7-14(10)19-16-9-15(20-21-16)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21)
InChIKeyFKFGSGQMBAQUNQ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.92
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine

5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 139405472) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID139405472
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(F)ccc1Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C16H13ClFN3/c1-10-8-13(18)6-7-14(10)19-16-9-15(20-21-16)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21)
InChIKeyFKFGSGQMBAQUNQ-UHFFFAOYSA-N
XLogP4.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide
CID 794164
1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-ethylthiourea
CID 863961
N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-2-phenyl-acetamide
CID 11056043
5-chloro-N-(3-chlorophenyl)-1H-indazol-3-amine
CID 24987277
N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine
CID 24991696
N-(3-fluorophenyl)-1H-indazol-3-amine
CID 25096268
N-(3-chlorophenyl)-1H-indazol-3-amine
CID 25096270
N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine
CID 25096271
5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-7-amine
CID 135444580
5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002545
N-(3-chloro-4-fluorophenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)thiourea
CID 934966

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine (CID 139405472) is 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine is Cc1cc(F)ccc1Nc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is FKFGSGQMBAQUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-10-8-13(18)6-7-14(10)19-16-9-15(20-21-16)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 301.75 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 139405472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).