3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine

C17H16ClN3 — CID 43542636

IUPAC3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
SMILESCc1cc(C)cc(-n2nc(-c3cccc(Cl)c3)cc2N)c1
InChIInChI=1S/C17H16ClN3/c1-11-6-12(2)8-15(7-11)21-17(19)10-16(20-21)13-4-3-5-14(18)9-13/h3-10H,19H2,1-2H3
InChIKeyGPQIFQZPUVJTQS-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.39
Rot. Bonds2

About 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine

3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine (PubChem CID 43542636) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
PubChem CID43542636
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
SMILESCc1cc(C)cc(-n2nc(-c3cccc(Cl)c3)cc2N)c1
InChIInChI=1S/C17H16ClN3/c1-11-6-12(2)8-15(7-11)21-17(19)10-16(20-21)13-4-3-5-14(18)9-13/h3-10H,19H2,1-2H3
InChIKeyGPQIFQZPUVJTQS-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 43542633
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 2742747
1-tert-butyl-3-(3-chlorophenyl)pyrazol-5-amine
CID 43381448
3-(3-chlorophenyl)-1-pyrazin-2-ylpyrazol-5-amine
CID 81043369
3-(3,5-dichlorophenyl)-1-phenylpyrazol-5-amine
CID 43336748
2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16641334
1-(2-methylphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4598830
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 44763350
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine
CID 61271897
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
CID 44763412

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine (CID 43542636) is 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine is Cc1cc(C)cc(-n2nc(-c3cccc(Cl)c3)cc2N)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine?
The InChIKey is GPQIFQZPUVJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11-6-12(2)8-15(7-11)21-17(19)10-16(20-21)13-4-3-5-14(18)9-13/h3-10H,19H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine?
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine has a molecular weight of 297.79 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine is sourced from PubChem (CID 43542636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).