N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine

C27H19ClFN3 — CID 10812985

IUPACN-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine
SMILESFc1ccc(-n2nc(-c3ccccc3)c(-c3ccccc3)c2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H19ClFN3/c28-21-11-15-23(16-12-21)30-27-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)31-32(27)24-17-13-22(29)14-18-24/h1-18,30H
InChIKeyVICLAXIKTVGYHD-UHFFFAOYSA-N
MW439.92 g/mol
LogP7.74
Rot. Bonds5

About N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine

N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine (PubChem CID 10812985) has the molecular formula C27H19ClFN3 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine
PubChem CID10812985
Molecular FormulaC27H19ClFN3
Molecular Weight439.92 g/mol
Exact Mass439.13
IUPAC NameN-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine
SMILESFc1ccc(-n2nc(-c3ccccc3)c(-c3ccccc3)c2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H19ClFN3/c28-21-11-15-23(16-12-21)30-27-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)31-32(27)24-17-13-22(29)14-18-24/h1-18,30H
InChIKeyVICLAXIKTVGYHD-UHFFFAOYSA-N
XLogP7.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine
CID 2400956
N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
CID 2452268
2-N-[1-(3-chlorophenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine
CID 4273494
1-[1-(4-Chlorophenyl)-3-phenylpyrazol-5-yl]-3-(3,5-dichlorophenyl)urea
CID 10344117
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]urea
CID 44359004
3-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 2742645
3-[(4-Benzylpiperazin-1-yl)methyl]-1-(4-chlorophenyl)-4-phenylpyrazol-5-amine
CID 2420381
N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
CID 2423951
N-(2-chlorobenzylidene)-N-(1,3-diphenyl-1H-pyrazol-5-yl)amine
CID 9618162

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine (CID 10812985) is N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine is Fc1ccc(-n2nc(-c3ccccc3)c(-c3ccccc3)c2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine?
The InChIKey is VICLAXIKTVGYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClFN3/c28-21-11-15-23(16-12-21)30-27-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)31-32(27)24-17-13-22(29)14-18-24/h1-18,30H.
What are the key properties of N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine?
N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine has a molecular weight of 439.92 g/mol, XLogP of 7.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-fluorophenyl)-3,4-diphenylpyrazol-5-amine is sourced from PubChem (CID 10812985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).