1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine

C17H16ClN3 — CID 83203351

IUPAC1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(Cc3ccccc3Cl)cc2N)cc1
InChIInChI=1S/C17H16ClN3/c1-12-6-8-13(9-7-12)17-16(19)11-21(20-17)10-14-4-2-3-5-15(14)18/h2-9,11H,10,19H2,1H3
InChIKeyXBXBAKCSBVWEBI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.14
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine (PubChem CID 83203351) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine
PubChem CID83203351
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(Cc3ccccc3Cl)cc2N)cc1
InChIInChI=1S/C17H16ClN3/c1-12-6-8-13(9-7-12)17-16(19)11-21(20-17)10-14-4-2-3-5-15(14)18/h2-9,11H,10,19H2,1H3
InChIKeyXBXBAKCSBVWEBI-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
CID 83203348
1-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222665
1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
CID 83222256
1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine
CID 83203644
1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine
CID 83203919
1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbaldehyde
CID 4961726
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
CID 22206402
1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83203407
1-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483578
1-[(2-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223316

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine (CID 83203351) is 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine is Cc1ccc(-c2nn(Cc3ccccc3Cl)cc2N)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine?
The InChIKey is XBXBAKCSBVWEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12-6-8-13(9-7-12)17-16(19)11-21(20-17)10-14-4-2-3-5-15(14)18/h2-9,11H,10,19H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine?
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83203351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).