1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide

C12H14F2N6O2 — CID 17025155

IUPAC1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cc(C)n(C(F)F)n1
InChIInChI=1S/C12H14F2N6O2/c1-6-4-7(17-20(6)12(13)14)10(21)16-8-5-19(3)18-9(8)11(22)15-2/h4-5,12H,1-3H3,(H,15,22)(H,16,21)
InChIKeyWVVFFGKRMVPBJB-UHFFFAOYSA-N
MW312.28 g/mol
LogP0.93
Rot. Bonds4

About 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide

1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 17025155) has the molecular formula C12H14F2N6O2 and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID17025155
Molecular FormulaC12H14F2N6O2
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC Name1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cc(C)n(C(F)F)n1
InChIInChI=1S/C12H14F2N6O2/c1-6-4-7(17-20(6)12(13)14)10(21)16-8-5-19(3)18-9(8)11(22)15-2/h4-5,12H,1-3H3,(H,15,22)(H,16,21)
InChIKeyWVVFFGKRMVPBJB-UHFFFAOYSA-N
XLogP0.93
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 4772788
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19398390
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 19620467
1-(2-aminoethyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70705811
1-methyl-5-(1H-pyrazol-1-ylcarbonyl)-3-(trifluoromethyl)-1H-pyrazole
CID 844640
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 4773800
(2-Ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
CID 90186040

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 17025155) is 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1cc(C)n(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is WVVFFGKRMVPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N6O2/c1-6-4-7(17-20(6)12(13)14)10(21)16-8-5-19(3)18-9(8)11(22)15-2/h4-5,12H,1-3H3,(H,15,22)(H,16,21).
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 312.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 17025155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).