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

C16H13ClFN3 — CID 139405472

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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