N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide

C17H13F2N3O2 — CID 86991823

IUPACN-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-13-8-6-12(7-9-13)21-16(23)14-4-1-2-5-15(14)22-11-3-10-20-22/h1-11,17H,(H,21,23)
InChIKeyVPHQNFOAFGCCIX-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.73
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide

N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide (PubChem CID 86991823) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
PubChem CID86991823
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-13-8-6-12(7-9-13)21-16(23)14-4-1-2-5-15(14)22-11-3-10-20-22/h1-11,17H,(H,21,23)
InChIKeyVPHQNFOAFGCCIX-UHFFFAOYSA-N
XLogP3.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-(4-pyrazin-2-yloxyphenyl)-2-pyrazol-1-ylbenzamide
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N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
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N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
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N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
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N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
N-(1H-indazol-5-yl)-2-pyrazol-1-ylbenzamide
CID 87000919
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide
CID 47037218
N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380332
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide (CID 86991823) is N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is VPHQNFOAFGCCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-17(19)24-13-8-6-12(7-9-13)21-16(23)14-4-1-2-5-15(14)22-11-3-10-20-22/h1-11,17H,(H,21,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide?
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 329.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 86991823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).