N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide

C18H12F5N3O — CID 122507648

IUPACN-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide
SMILESCc1cc(C(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F
InChIInChI=1S/C18H12F5N3O/c1-9-7-14(17(22)23)25-26(9)15-6-5-10(8-13(15)21)24-18(27)16-11(19)3-2-4-12(16)20/h2-8,17H,1H3,(H,24,27)
InChIKeyWSDSZTWUDQYETA-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.79
Rot. Bonds4

About N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide

N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide (PubChem CID 122507648) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide
PubChem CID122507648
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC NameN-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide
SMILESCc1cc(C(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F
InChIInChI=1S/C18H12F5N3O/c1-9-7-14(17(22)23)25-26(9)15-6-5-10(8-13(15)21)24-18(27)16-11(19)3-2-4-12(16)20/h2-8,17H,1H3,(H,24,27)
InChIKeyWSDSZTWUDQYETA-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51085319
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
CID 111536844
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 146153671
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
CID 119731557
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146123159

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide (CID 122507648) is N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide is Cc1cc(C(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.
What is the InChIKey of N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide?
The InChIKey is WSDSZTWUDQYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-9-7-14(17(22)23)25-26(9)15-6-5-10(8-13(15)21)24-18(27)16-11(19)3-2-4-12(16)20/h2-8,17H,1H3,(H,24,27).
What are the key properties of N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide?
N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide has a molecular weight of 381.30 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 122507648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).