3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine

C17H16ClN3 — CID 43471217

IUPAC3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
SMILESCc1ccc(Cn2nc(-c3ccccc3Cl)cc2N)cc1
InChIInChI=1S/C17H16ClN3/c1-12-6-8-13(9-7-12)11-21-17(19)10-16(20-21)14-4-2-3-5-15(14)18/h2-10H,11,19H2,1H3
InChIKeyONGAOZXSSSZTAH-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.14
Rot. Bonds3

About 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine

3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine (PubChem CID 43471217) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
PubChem CID43471217
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
SMILESCc1ccc(Cn2nc(-c3ccccc3Cl)cc2N)cc1
InChIInChI=1S/C17H16ClN3/c1-12-6-8-13(9-7-12)11-21-17(19)10-16(20-21)14-4-2-3-5-15(14)18/h2-10H,11,19H2,1H3
InChIKeyONGAOZXSSSZTAH-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

1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
CID 43381349
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 63278628
3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 698991
1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine
CID 63276403
3-(2-methylphenyl)-1-(2-methylpropyl)pyrazol-5-amine
CID 43381407
3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole
CID 17025672
5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62679998
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
1-butyl-3-(2-methylphenyl)pyrazol-5-amine
CID 61270915
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine?
The IUPAC name of 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine (CID 43471217) is 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine is Cc1ccc(Cn2nc(-c3ccccc3Cl)cc2N)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine?
The InChIKey is ONGAOZXSSSZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12-6-8-13(9-7-12)11-21-17(19)10-16(20-21)14-4-2-3-5-15(14)18/h2-10H,11,19H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine?
3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-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 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 43471217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).