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

C15H12ClN3 — CID 3717260

IUPAC1-(3-chlorophenyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3/c16-12-7-4-8-13(9-12)19-15(17)14(10-18-19)11-5-2-1-3-6-11/h1-10H,17H2
InChIKeyLCEMVLFMDXNHHN-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.77
Rot. Bonds2

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

1-(3-chlorophenyl)-4-phenylpyrazol-5-amine (PubChem CID 3717260) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-phenylpyrazol-5-amine
PubChem CID3717260
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-(3-chlorophenyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3/c16-12-7-4-8-13(9-12)19-15(17)14(10-18-19)11-5-2-1-3-6-11/h1-10H,17H2
InChIKeyLCEMVLFMDXNHHN-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

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 639097
5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 734496
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
4-(3-chlorophenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 3809886
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845
4-(3-Chlorophenyl)-2-phenylpyrazol-3-amine
CID 3569800
4-(4-chlorophenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 3674519
1-(4-Chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950882
5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 12366038

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine (CID 3717260) is 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine is Nc1c(-c2ccccc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine?
The InChIKey is LCEMVLFMDXNHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-7-4-8-13(9-12)19-15(17)14(10-18-19)11-5-2-1-3-6-11/h1-10H,17H2.
What are the key properties of 1-(3-chlorophenyl)-4-phenylpyrazol-5-amine?
1-(3-chlorophenyl)-4-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-(3-chlorophenyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 3717260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).