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

C16H14ClN3 — CID 3639105

IUPAC1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine
SMILESCc1cccc(-c2cc(N)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H14ClN3/c1-11-3-2-4-12(9-11)15-10-16(18)20(19-15)14-7-5-13(17)6-8-14/h2-10H,18H2,1H3
InChIKeyGZGCEEWXSKAZLQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.08
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine (PubChem CID 3639105) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine
PubChem CID3639105
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine
SMILESCc1cccc(-c2cc(N)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H14ClN3/c1-11-3-2-4-12(9-11)15-10-16(18)20(19-15)14-7-5-13(17)6-8-14/h2-10H,18H2,1H3
InChIKeyGZGCEEWXSKAZLQ-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine (CID 3639105) is 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine is Cc1cccc(-c2cc(N)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine?
The InChIKey is GZGCEEWXSKAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-3-2-4-12(9-11)15-10-16(18)20(19-15)14-7-5-13(17)6-8-14/h2-10H,18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine?
1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine has a molecular weight of 283.76 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 3639105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).