N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C15H16F3N3O — CID 175837098

IUPACN-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccc(F)cc1C(NC(=O)c1cn[nH]c1)C(F)F
InChIInChI=1S/C15H16F3N3O/c1-8(2)11-4-3-10(16)5-12(11)13(14(17)18)21-15(22)9-6-19-20-7-9/h3-8,13-14H,1-2H3,(H,19,20)(H,21,22)
InChIKeyIOVZUSVVNLGIIN-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.41
Rot. Bonds5

About N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide

N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 175837098) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID175837098
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccc(F)cc1C(NC(=O)c1cn[nH]c1)C(F)F
InChIInChI=1S/C15H16F3N3O/c1-8(2)11-4-3-10(16)5-12(11)13(14(17)18)21-15(22)9-6-19-20-7-9/h3-8,13-14H,1-2H3,(H,19,20)(H,21,22)
InChIKeyIOVZUSVVNLGIIN-UHFFFAOYSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone
CID 114989396
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 175837098) is N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide is CC(C)c1ccc(F)cc1C(NC(=O)c1cn[nH]c1)C(F)F.
What is the InChIKey of N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IOVZUSVVNLGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-8(2)11-4-3-10(16)5-12(11)13(14(17)18)21-15(22)9-6-19-20-7-9/h3-8,13-14H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(5-fluoro-2-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175837098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).