5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide

C23H16ClF2N5O3 — CID 126962649

IUPAC5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(OC(F)F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C23H16ClF2N5O3/c24-16-11-19(34-23(25)26)15(17-8-4-5-9-28-17)10-14(16)22(33)29-20-12-18(21(27)32)30-31(20)13-6-2-1-3-7-13/h1-12,23H,(H2,27,32)(H,29,33)
InChIKeyVOYIOQNFFXBOPL-UHFFFAOYSA-N
MW483.86 g/mol
LogP4.54
Rot. Bonds7

About 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 126962649) has the molecular formula C23H16ClF2N5O3 and a molecular weight of 483.86 g/mol. Its IUPAC name is 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID126962649
Molecular FormulaC23H16ClF2N5O3
Molecular Weight483.86 g/mol
Exact Mass483.09
IUPAC Name5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(OC(F)F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C23H16ClF2N5O3/c24-16-11-19(34-23(25)26)15(17-8-4-5-9-28-17)10-14(16)22(33)29-20-12-18(21(27)32)30-31(20)13-6-2-1-3-7-13/h1-12,23H,(H2,27,32)(H,29,33)
InChIKeyVOYIOQNFFXBOPL-UHFFFAOYSA-N
XLogP4.54
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.86
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 126962649) is 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(OC(F)F)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is VOYIOQNFFXBOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N5O3/c24-16-11-19(34-23(25)26)15(17-8-4-5-9-28-17)10-14(16)22(33)29-20-12-18(21(27)32)30-31(20)13-6-2-1-3-7-13/h1-12,23H,(H2,27,32)(H,29,33).
What are the key properties of 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 483.86 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-4-(difluoromethoxy)-5-pyridin-2-ylbenzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).