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

C15H12ClN3 — CID 5073658

IUPAC1-(4-chlorophenyl)-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3/c16-12-6-8-13(9-7-12)19-15(17)10-14(18-19)11-4-2-1-3-5-11/h1-10H,17H2
InChIKeyICFXYKYUOKTMKG-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.77
Rot. Bonds2

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

1-(4-chlorophenyl)-3-phenylpyrazol-5-amine (PubChem CID 5073658) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenylpyrazol-5-amine
PubChem CID5073658
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-(4-chlorophenyl)-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3/c16-12-6-8-13(9-7-12)19-15(17)10-14(18-19)11-4-2-1-3-5-11/h1-10H,17H2
InChIKeyICFXYKYUOKTMKG-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.77
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-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine (CID 5073658) is 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine?
The InChIKey is ICFXYKYUOKTMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-6-8-13(9-7-12)19-15(17)10-14(18-19)11-4-2-1-3-5-11/h1-10H,17H2.
What are the key properties of 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine?
1-(4-chlorophenyl)-3-phenylpyrazol-5-amine has a molecular weight of 269.74 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenylpyrazol-5-amine is sourced from PubChem (CID 5073658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).