4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

C11H12F2N6O2 — CID 4771014

IUPAC4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(C(F)F)n2)c(C(N)=O)n1
InChIInChI=1S/C11H12F2N6O2/c1-2-18-5-7(8(17-18)9(14)20)15-10(21)6-3-4-19(16-6)11(12)13/h3-5,11H,2H2,1H3,(H2,14,20)(H,15,21)
InChIKeyOKEQMBSTOWONBK-UHFFFAOYSA-N
MW298.25 g/mol
LogP0.85
Rot. Bonds5

About 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4771014) has the molecular formula C11H12F2N6O2 and a molecular weight of 298.25 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID4771014
Molecular FormulaC11H12F2N6O2
Molecular Weight298.25 g/mol
Exact Mass298.10
IUPAC Name4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(C(F)F)n2)c(C(N)=O)n1
InChIInChI=1S/C11H12F2N6O2/c1-2-18-5-7(8(17-18)9(14)20)15-10(21)6-3-4-19(16-6)11(12)13/h3-5,11H,2H2,1H3,(H2,14,20)(H,15,21)
InChIKeyOKEQMBSTOWONBK-UHFFFAOYSA-N
XLogP0.85
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (CID 4771014) is 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccn(C(F)F)n2)c(C(N)=O)n1.
What is the InChIKey of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is OKEQMBSTOWONBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N6O2/c1-2-18-5-7(8(17-18)9(14)20)15-10(21)6-3-4-19(16-6)11(12)13/h3-5,11H,2H2,1H3,(H2,14,20)(H,15,21).
What are the key properties of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 298.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 4771014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).