4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide

C12H14F2N6O2 — CID 4776879

IUPAC4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NC)n1
InChIInChI=1S/C12H14F2N6O2/c1-3-19-6-7(9(18-19)11(22)15-2)17-10(21)8-4-5-16-20(8)12(13)14/h4-6,12H,3H2,1-2H3,(H,15,22)(H,17,21)
InChIKeyKGJQHHPEJXYHEL-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.11
Rot. Bonds5

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

4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 4776879) has the molecular formula C12H14F2N6O2 and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID4776879
Molecular FormulaC12H14F2N6O2
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC Name4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NC)n1
InChIInChI=1S/C12H14F2N6O2/c1-3-19-6-7(9(18-19)11(22)15-2)17-10(21)8-4-5-16-20(8)12(13)14/h4-6,12H,3H2,1-2H3,(H,15,22)(H,17,21)
InChIKeyKGJQHHPEJXYHEL-UHFFFAOYSA-N
XLogP1.11
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.11
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]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 4776879) is 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NC)n1.
What is the InChIKey of 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is KGJQHHPEJXYHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N6O2/c1-3-19-6-7(9(18-19)11(22)15-2)17-10(21)8-4-5-16-20(8)12(13)14/h4-6,12H,3H2,1-2H3,(H,15,22)(H,17,21).
What are the key properties of 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 312.28 g/mol, XLogP of 1.11, 5 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]-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4776879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).