4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C11H12F2N6O2 — CID 4776653

IUPAC4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C11H12F2N6O2/c1-14-10(21)8-6(5-18(2)17-8)16-9(20)7-3-4-15-19(7)11(12)13/h3-5,11H,1-2H3,(H,14,21)(H,16,20)
InChIKeySTXMANPMPMEZJO-UHFFFAOYSA-N
MW298.25 g/mol
LogP0.62
Rot. Bonds4

About 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 4776653) has the molecular formula C11H12F2N6O2 and a molecular weight of 298.25 g/mol. Its IUPAC name is 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID4776653
Molecular FormulaC11H12F2N6O2
Molecular Weight298.25 g/mol
Exact Mass298.10
IUPAC Name4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C11H12F2N6O2/c1-14-10(21)8-6(5-18(2)17-8)16-9(20)7-3-4-15-19(7)11(12)13/h3-5,11H,1-2H3,(H,14,21)(H,16,20)
InChIKeySTXMANPMPMEZJO-UHFFFAOYSA-N
XLogP0.62
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 4776653) is 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccnn1C(F)F.
What is the InChIKey of 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is STXMANPMPMEZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N6O2/c1-14-10(21)8-6(5-18(2)17-8)16-9(20)7-3-4-15-19(7)11(12)13/h3-5,11H,1-2H3,(H,14,21)(H,16,20).
What are the key properties of 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 298.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 4776653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).