3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide

C11H13F2N5O2 — CID 169141444

IUPAC3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(OCC(F)F)nn2C)n[nH]1
InChIInChI=1S/C11H13F2N5O2/c1-6-3-9(16-15-6)14-11(19)7-4-10(17-18(7)2)20-5-8(12)13/h3-4,8H,5H2,1-2H3,(H2,14,15,16,19)
InChIKeySQXYQPRDFSWEIH-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.35
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide

3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (PubChem CID 169141444) has the molecular formula C11H13F2N5O2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
PubChem CID169141444
Molecular FormulaC11H13F2N5O2
Molecular Weight285.25 g/mol
Exact Mass285.10
IUPAC Name3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(OCC(F)F)nn2C)n[nH]1
InChIInChI=1S/C11H13F2N5O2/c1-6-3-9(16-15-6)14-11(19)7-4-10(17-18(7)2)20-5-8(12)13/h3-4,8H,5H2,1-2H3,(H2,14,15,16,19)
InChIKeySQXYQPRDFSWEIH-UHFFFAOYSA-N
XLogP1.35
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (CID 169141444) is 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc(OCC(F)F)nn2C)n[nH]1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is SQXYQPRDFSWEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2/c1-6-3-9(16-15-6)14-11(19)7-4-10(17-18(7)2)20-5-8(12)13/h3-4,8H,5H2,1-2H3,(H2,14,15,16,19).
What are the key properties of 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 169141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).