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

C11H10F2N4O — CID 58270495

IUPACN-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H10F2N4O/c12-10(13)6-15-11(18)8-4-16-17(7-8)9-2-1-3-14-5-9/h1-5,7,10H,6H2,(H,15,18)
InChIKeyORTFYJHKBZCTGP-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.26
Rot. Bonds4

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

N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 58270495) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID58270495
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC NameN-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H10F2N4O/c12-10(13)6-15-11(18)8-4-16-17(7-8)9-2-1-3-14-5-9/h1-5,7,10H,6H2,(H,15,18)
InChIKeyORTFYJHKBZCTGP-UHFFFAOYSA-N
XLogP1.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.26
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)-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide (CID 58270495) is N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCC(F)F)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is ORTFYJHKBZCTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c12-10(13)6-15-11(18)8-4-16-17(7-8)9-2-1-3-14-5-9/h1-5,7,10H,6H2,(H,15,18).
What are the key properties of N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 1.26, 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)-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 58270495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).