4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine

C22H18ClN3 — CID 134910080

IUPAC4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C22H18ClN3/c1-15-7-13-19(14-8-15)26-22(24)20(16-9-11-18(23)12-10-16)21(25-26)17-5-3-2-4-6-17/h2-14H,24H2,1H3
InChIKeyNGYRNEFSVBSYSI-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.75
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine

4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine (PubChem CID 134910080) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine
PubChem CID134910080
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C22H18ClN3/c1-15-7-13-19(14-8-15)26-22(24)20(16-9-11-18(23)12-10-16)21(25-26)17-5-3-2-4-6-17/h2-14H,24H2,1H3
InChIKeyNGYRNEFSVBSYSI-UHFFFAOYSA-N
XLogP5.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
4-(3-Chlorophenyl)-2-phenylpyrazol-3-amine
CID 3569800
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
2-(4-Chloro-benzyl)-5-p-tolyl-2H-pyrazol-3-ylamine
CID 814443

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine (CID 134910080) is 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine is Cc1ccc(-n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine?
The InChIKey is NGYRNEFSVBSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c1-15-7-13-19(14-8-15)26-22(24)20(16-9-11-18(23)12-10-16)21(25-26)17-5-3-2-4-6-17/h2-14H,24H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine?
4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine has a molecular weight of 359.86 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylpyrazol-5-amine is sourced from PubChem (CID 134910080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).