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

C17H16ClN3 — CID 169018051

IUPACN-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine
SMILESCc1cc(NCc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN3/c1-13-11-17(19-12-14-7-9-15(18)10-8-14)21(20-13)16-5-3-2-4-6-16/h2-11,19H,12H2,1H3
InChIKeyMPCKFWHTMDZMOM-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.45
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine (PubChem CID 169018051) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine
PubChem CID169018051
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine
SMILESCc1cc(NCc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN3/c1-13-11-17(19-12-14-7-9-15(18)10-8-14)21(20-13)16-5-3-2-4-6-16/h2-11,19H,12H2,1H3
InChIKeyMPCKFWHTMDZMOM-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine (CID 169018051) is N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine is Cc1cc(NCc2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine?
The InChIKey is MPCKFWHTMDZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-13-11-17(19-12-14-7-9-15(18)10-8-14)21(20-13)16-5-3-2-4-6-16/h2-11,19H,12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine?
N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine has a molecular weight of 297.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine is sourced from PubChem (CID 169018051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).