N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide

C12H12F2N4O — CID 58270533

IUPACN-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2cccnc2)cc1C(=O)NCC(F)F
InChIInChI=1S/C12H12F2N4O/c1-8-10(12(19)16-6-11(13)14)7-18(17-8)9-3-2-4-15-5-9/h2-5,7,11H,6H2,1H3,(H,16,19)
InChIKeyFSZZUHBTLFOVGY-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.57
Rot. Bonds4

About N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide

N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 58270533) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID58270533
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2cccnc2)cc1C(=O)NCC(F)F
InChIInChI=1S/C12H12F2N4O/c1-8-10(12(19)16-6-11(13)14)7-18(17-8)9-3-2-4-15-5-9/h2-5,7,11H,6H2,1H3,(H,16,19)
InChIKeyFSZZUHBTLFOVGY-UHFFFAOYSA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide (CID 58270533) is N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide is Cc1nn(-c2cccnc2)cc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is FSZZUHBTLFOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-8-10(12(19)16-6-11(13)14)7-18(17-8)9-3-2-4-15-5-9/h2-5,7,11H,6H2,1H3,(H,16,19).
What are the key properties of N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 58270533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).