1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide

C13H15F2N5O2 — CID 99838246

IUPAC1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccn(CC(F)F)n2)nn1
InChIInChI=1S/C13H15F2N5O2/c1-8(2)22-12-4-3-11(17-18-12)16-13(21)9-5-6-20(19-9)7-10(14)15/h3-6,8,10H,7H2,1-2H3,(H,16,17,21)
InChIKeyALIFJPQIUORABT-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.98
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide

1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide (PubChem CID 99838246) has the molecular formula C13H15F2N5O2 and a molecular weight of 311.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide
PubChem CID99838246
Molecular FormulaC13H15F2N5O2
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccn(CC(F)F)n2)nn1
InChIInChI=1S/C13H15F2N5O2/c1-8(2)22-12-4-3-11(17-18-12)16-13(21)9-5-6-20(19-9)7-10(14)15/h3-6,8,10H,7H2,1-2H3,(H,16,17,21)
InChIKeyALIFJPQIUORABT-UHFFFAOYSA-N
XLogP1.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide (CID 99838246) is 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccn(CC(F)F)n2)nn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide?
The InChIKey is ALIFJPQIUORABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O2/c1-8(2)22-12-4-3-11(17-18-12)16-13(21)9-5-6-20(19-9)7-10(14)15/h3-6,8,10H,7H2,1-2H3,(H,16,17,21).
What are the key properties of 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide?
1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 99838246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).