4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide

C23H15ClF3N3O2 — CID 139674011

IUPAC4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1nn(-c2cc(F)ccc2F)c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C23H15ClF3N3O2/c24-20-21(23(31)29-32-13-14-4-2-1-3-5-14)28-30(19-12-17(26)10-11-18(19)27)22(20)15-6-8-16(25)9-7-15/h1-12H,13H2,(H,29,31)
InChIKeyXXYRCIZVBGUJSA-UHFFFAOYSA-N
MW457.84 g/mol
LogP5.47
Rot. Bonds6

About 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide

4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide (PubChem CID 139674011) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide
PubChem CID139674011
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC Name4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1nn(-c2cc(F)ccc2F)c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C23H15ClF3N3O2/c24-20-21(23(31)29-32-13-14-4-2-1-3-5-14)28-30(19-12-17(26)10-11-18(19)27)22(20)15-6-8-16(25)9-7-15/h1-12H,13H2,(H,29,31)
InChIKeyXXYRCIZVBGUJSA-UHFFFAOYSA-N
XLogP5.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-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

methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate
CID 10522966
2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid
CID 69228973
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
CID 41450831
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate
CID 42684864
1-(2,4-dichlorophenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid
CID 68802770
1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide
CID 26179891
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
CID 25027058
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide (CID 139674011) is 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide is O=C(NOCc1ccccc1)c1nn(-c2cc(F)ccc2F)c(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide?
The InChIKey is XXYRCIZVBGUJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-20-21(23(31)29-32-13-14-4-2-1-3-5-14)28-30(19-12-17(26)10-11-18(19)27)22(20)15-6-8-16(25)9-7-15/h1-12H,13H2,(H,29,31).
What are the key properties of 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide?
4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide has a molecular weight of 457.84 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide is sourced from PubChem (CID 139674011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).