3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H11ClFN3O — CID 46920010

IUPAC3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H11ClFN3O/c17-11-6-4-10(5-7-11)14-9-15(21-20-14)16(22)19-13-3-1-2-12(18)8-13/h1-9H,(H,19,22)(H,20,21)
InChIKeyWXTFDNAECSKUDR-UHFFFAOYSA-N
MW315.74 g/mol
LogP4.12
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920010) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920010
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC Name3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H11ClFN3O/c17-11-6-4-10(5-7-11)14-9-15(21-20-14)16(22)19-13-3-1-2-12(18)8-13/h1-9H,(H,19,22)(H,20,21)
InChIKeyWXTFDNAECSKUDR-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide 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

N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
[2-(3-fluoroanilino)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 32845913

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 46920010) is 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WXTFDNAECSKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c17-11-6-4-10(5-7-11)14-9-15(21-20-14)16(22)19-13-3-1-2-12(18)8-13/h1-9H,(H,19,22)(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 315.74 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).