3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide

C17H12F3N3O — CID 42687572

IUPAC3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
SMILESCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H12F3N3O/c1-9-15(16(23-22-9)10-3-2-4-12(18)5-10)21-17(24)11-6-13(19)8-14(20)7-11/h2-8H,1H3,(H,21,24)(H,22,23)
InChIKeyCWLJZXCCDBLLFT-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.05
Rot. Bonds3

About 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide

3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42687572) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
PubChem CID42687572
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
SMILESCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H12F3N3O/c1-9-15(16(23-22-9)10-3-2-4-12(18)5-10)21-17(24)11-6-13(19)8-14(20)7-11/h2-8H,1H3,(H,21,24)(H,22,23)
InChIKeyCWLJZXCCDBLLFT-UHFFFAOYSA-N
XLogP4.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42687284
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
CID 42687470
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347
4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686466
3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42874274
3-fluoro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzamide
CID 110732565

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide (CID 42687572) is 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide is Cc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is CWLJZXCCDBLLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-9-15(16(23-22-9)10-3-2-4-12(18)5-10)21-17(24)11-6-13(19)8-14(20)7-11/h2-8H,1H3,(H,21,24)(H,22,23).
What are the key properties of 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 331.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42687572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).