3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine

C17H16ClN3 — CID 81317120

IUPAC3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cc(Cl)cc(-c2nn(C)c(N)c2-c2ccccc2)c1
InChIInChI=1S/C17H16ClN3/c1-11-8-13(10-14(18)9-11)16-15(17(19)21(2)20-16)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3
InChIKeyMQPACJBBFSGEQW-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.30
Rot. Bonds2

About 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine

3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine (PubChem CID 81317120) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
PubChem CID81317120
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cc(Cl)cc(-c2nn(C)c(N)c2-c2ccccc2)c1
InChIInChI=1S/C17H16ClN3/c1-11-8-13(10-14(18)9-11)16-15(17(19)21(2)20-16)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3
InChIKeyMQPACJBBFSGEQW-UHFFFAOYSA-N
XLogP4.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine (CID 81317120) is 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine is Cc1cc(Cl)cc(-c2nn(C)c(N)c2-c2ccccc2)c1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The InChIKey is MQPACJBBFSGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11-8-13(10-14(18)9-11)16-15(17(19)21(2)20-16)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3.
What are the key properties of 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine has a molecular weight of 297.79 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 81317120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).