4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

C18H14F3N3O2 — CID 112805768

IUPAC4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)F)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F3N3O2/c1-11-10-16(24(23-11)14-6-4-13(19)5-7-14)22-17(25)12-2-8-15(9-3-12)26-18(20)21/h2-10,18H,1H3,(H,22,25)
InChIKeyZRHBOGWLHCPRAJ-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.17
Rot. Bonds5

About 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 112805768) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID112805768
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)F)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F3N3O2/c1-11-10-16(24(23-11)14-6-4-13(19)5-7-14)22-17(25)12-2-8-15(9-3-12)26-18(20)21/h2-10,18H,1H3,(H,22,25)
InChIKeyZRHBOGWLHCPRAJ-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-imidazol-1-ylbenzamide
CID 172890573
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112845051
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate
CID 112816924

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (CID 112805768) is 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is ZRHBOGWLHCPRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-11-10-16(24(23-11)14-6-4-13(19)5-7-14)22-17(25)12-2-8-15(9-3-12)26-18(20)21/h2-10,18H,1H3,(H,22,25).
What are the key properties of 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 361.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 112805768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).