N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H10ClF2N3O — CID 45030505

IUPACN-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H10ClF2N3O/c17-12-6-5-11(19)7-14(12)20-16(23)15-8-13(21-22-15)9-1-3-10(18)4-2-9/h1-8H,(H,20,23)(H,21,22)
InChIKeyDVKSGNJHFXCIQU-UHFFFAOYSA-N
MW333.73 g/mol
LogP4.26
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030505) has the molecular formula C16H10ClF2N3O and a molecular weight of 333.73 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030505
Molecular FormulaC16H10ClF2N3O
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H10ClF2N3O/c17-12-6-5-11(19)7-14(12)20-16(23)15-8-13(21-22-15)9-1-3-10(18)4-2-9/h1-8H,(H,20,23)(H,21,22)
InChIKeyDVKSGNJHFXCIQU-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-5-fluorophenyl)-3-(4-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-(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-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107530898
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030513
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 45030505) is N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(F)ccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DVKSGNJHFXCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O/c17-12-6-5-11(19)7-14(12)20-16(23)15-8-13(21-22-15)9-1-3-10(18)4-2-9/h1-8H,(H,20,23)(H,21,22).
What are the key properties of N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 333.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).