N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine

C16H14ClN3 — CID 2400956

IUPACN-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3/c1-12-11-16(18-14-9-7-13(17)8-10-14)20(19-12)15-5-3-2-4-6-15/h2-11,18H,1H3
InChIKeyZATJKPMDKJYXQS-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.58
Rot. Bonds3

About N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine

N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine (PubChem CID 2400956) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine
PubChem CID2400956
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3/c1-12-11-16(18-14-9-7-13(17)8-10-14)20(19-12)15-5-3-2-4-6-15/h2-11,18H,1H3
InChIKeyZATJKPMDKJYXQS-UHFFFAOYSA-N
XLogP4.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine (CID 2400956) is N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine is Cc1cc(Nc2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine?
The InChIKey is ZATJKPMDKJYXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-12-11-16(18-14-9-7-13(17)8-10-14)20(19-12)15-5-3-2-4-6-15/h2-11,18H,1H3.
What are the key properties of N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine?
N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine has a molecular weight of 283.76 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine is sourced from PubChem (CID 2400956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).