1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide

C15H19F2N5O — CID 138036995

IUPAC1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1cnc(CCNC(=O)c2c(C)nn(CC(F)F)c2C)cn1
InChIInChI=1S/C15H19F2N5O/c1-9-6-20-12(7-19-9)4-5-18-15(23)14-10(2)21-22(11(14)3)8-13(16)17/h6-7,13H,4-5,8H2,1-3H3,(H,18,23)
InChIKeyLGGWTHUKRWPQPZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.84
Rot. Bonds6

About 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide

1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 138036995) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID138036995
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1cnc(CCNC(=O)c2c(C)nn(CC(F)F)c2C)cn1
InChIInChI=1S/C15H19F2N5O/c1-9-6-20-12(7-19-9)4-5-18-15(23)14-10(2)21-22(11(14)3)8-13(16)17/h6-7,13H,4-5,8H2,1-3H3,(H,18,23)
InChIKeyLGGWTHUKRWPQPZ-UHFFFAOYSA-N
XLogP1.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide (CID 138036995) is 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide is Cc1cnc(CCNC(=O)c2c(C)nn(CC(F)F)c2C)cn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is LGGWTHUKRWPQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c1-9-6-20-12(7-19-9)4-5-18-15(23)14-10(2)21-22(11(14)3)8-13(16)17/h6-7,13H,4-5,8H2,1-3H3,(H,18,23).
What are the key properties of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide?
1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[2-(5-methylpyrazin-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 138036995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).