2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide

C15H17F3N4O — CID 75507095

IUPAC2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2cnn(CC(F)F)c2)c(F)c1
InChIInChI=1S/C15H17F3N4O/c1-9-3-4-13(12(16)5-9)21-15(23)10(2)20-11-6-19-22(7-11)8-14(17)18/h3-7,10,14,20H,8H2,1-2H3,(H,21,23)
InChIKeySUALIHCYSLJBBR-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.03
Rot. Bonds6

About 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide

2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 75507095) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID75507095
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2cnn(CC(F)F)c2)c(F)c1
InChIInChI=1S/C15H17F3N4O/c1-9-3-4-13(12(16)5-9)21-15(23)10(2)20-11-6-19-22(7-11)8-14(17)18/h3-7,10,14,20H,8H2,1-2H3,(H,21,23)
InChIKeySUALIHCYSLJBBR-UHFFFAOYSA-N
XLogP3.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
CID 78841829
N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 75507032
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(1-propylpyrazol-4-yl)amino]propanamide
CID 99823004
N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 56740174
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
CID 144685819
(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide
CID 129398862
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
2-ethyl-N-(2-fluoro-4-methylphenyl)pentanamide
CID 145282464

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide (CID 75507095) is 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Nc2cnn(CC(F)F)c2)c(F)c1.
What is the InChIKey of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is SUALIHCYSLJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9-3-4-13(12(16)5-9)21-15(23)10(2)20-11-6-19-22(7-11)8-14(17)18/h3-7,10,14,20H,8H2,1-2H3,(H,21,23).
What are the key properties of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 326.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 75507095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).