3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide

C12H13F2N5O — CID 171682394

IUPAC3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nc1C(F)F)c1cncnc1
InChIInChI=1S/C12H13F2N5O/c1-7(8-3-15-6-16-4-8)17-12(20)9-5-19(2)18-10(9)11(13)14/h3-7,11H,1-2H3,(H,17,20)
InChIKeyOKKGWBXOFGBFII-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.64
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide (PubChem CID 171682394) has the molecular formula C12H13F2N5O and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide
PubChem CID171682394
Molecular FormulaC12H13F2N5O
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nc1C(F)F)c1cncnc1
InChIInChI=1S/C12H13F2N5O/c1-7(8-3-15-6-16-4-8)17-12(20)9-5-19(2)18-10(9)11(13)14/h3-7,11H,1-2H3,(H,17,20)
InChIKeyOKKGWBXOFGBFII-UHFFFAOYSA-N
XLogP1.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88925294
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 25102833
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 175972125
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59580171
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino] benzoate
CID 174990293
3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 154582530
4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 99717451
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816
[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino] 4-ethylbenzoate
CID 174988628

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide (CID 171682394) is 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide is CC(NC(=O)c1cn(C)nc1C(F)F)c1cncnc1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide?
The InChIKey is OKKGWBXOFGBFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O/c1-7(8-3-15-6-16-4-8)17-12(20)9-5-19(2)18-10(9)11(13)14/h3-7,11H,1-2H3,(H,17,20).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 171682394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).