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

C16H14ClN3 — CID 134910071

IUPAC5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C16H14ClN3/c1-11-2-8-14(9-3-11)18-16-10-15(19-20-16)12-4-6-13(17)7-5-12/h2-10H,1H3,(H2,18,19,20)
InChIKeyRRUBSZFDSFAYPK-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.78
Rot. Bonds3

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

5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 134910071) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID134910071
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C16H14ClN3/c1-11-2-8-14(9-3-11)18-16-10-15(19-20-16)12-4-6-13(17)7-5-12/h2-10H,1H3,(H2,18,19,20)
InChIKeyRRUBSZFDSFAYPK-UHFFFAOYSA-N
XLogP4.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.78
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-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine (CID 134910071) is 5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is RRUBSZFDSFAYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-2-8-14(9-3-11)18-16-10-15(19-20-16)12-4-6-13(17)7-5-12/h2-10H,1H3,(H2,18,19,20).
What are the key properties of 5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.76 g/mol, XLogP of 4.78, 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-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 134910071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).