3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine

C16H14ClN3 — CID 83216271

IUPAC3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine
SMILESCc1ccccc1-n1cc(N)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H14ClN3/c1-11-4-2-3-5-15(11)20-10-14(18)16(19-20)12-6-8-13(17)9-7-12/h2-10H,18H2,1H3
InChIKeyJHMWCCHSNSQKJI-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.08
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine

3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine (PubChem CID 83216271) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine
PubChem CID83216271
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine
SMILESCc1ccccc1-n1cc(N)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H14ClN3/c1-11-4-2-3-5-15(11)20-10-14(18)16(19-20)12-6-8-13(17)9-7-12/h2-10H,18H2,1H3
InChIKeyJHMWCCHSNSQKJI-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 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine (CID 83216271) is 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine is Cc1ccccc1-n1cc(N)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine?
The InChIKey is JHMWCCHSNSQKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-4-2-3-5-15(11)20-10-14(18)16(19-20)12-6-8-13(17)9-7-12/h2-10H,18H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine?
3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-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 3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83216271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).