1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine

C17H16ClN3 — CID 692254

IUPAC1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H16ClN3/c1-12-5-7-14(8-6-12)16-10-17(19)21(20-16)11-13-3-2-4-15(18)9-13/h2-10H,11,19H2,1H3
InChIKeyKNVJAWKNCDCPAW-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.14
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine

1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine (PubChem CID 692254) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine
PubChem CID692254
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H16ClN3/c1-12-5-7-14(8-6-12)16-10-17(19)21(20-16)11-13-3-2-4-15(18)9-13/h2-10H,11,19H2,1H3
InChIKeyKNVJAWKNCDCPAW-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine (CID 692254) is 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(Cc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is KNVJAWKNCDCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12-5-7-14(8-6-12)16-10-17(19)21(20-16)11-13-3-2-4-15(18)9-13/h2-10H,11,19H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine?
1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 297.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 692254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).