N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide

C11H10F2N4O2 — CID 119043080

IUPACN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(OCC(F)F)n1)c1ccn[nH]1
InChIInChI=1S/C11H10F2N4O2/c12-8(13)6-19-10-3-1-2-9(15-10)16-11(18)7-4-5-14-17-7/h1-5,8H,6H2,(H,14,17)(H,15,16,18)
InChIKeyKZNVHJZAZGWPJX-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.70
Rot. Bonds5

About N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide (PubChem CID 119043080) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide
PubChem CID119043080
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(OCC(F)F)n1)c1ccn[nH]1
InChIInChI=1S/C11H10F2N4O2/c12-8(13)6-19-10-3-1-2-9(15-10)16-11(18)7-4-5-14-17-7/h1-5,8H,6H2,(H,14,17)(H,15,16,18)
InChIKeyKZNVHJZAZGWPJX-UHFFFAOYSA-N
XLogP1.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide (CID 119043080) is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(OCC(F)F)n1)c1ccn[nH]1.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KZNVHJZAZGWPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c12-8(13)6-19-10-3-1-2-9(15-10)16-11(18)7-4-5-14-17-7/h1-5,8H,6H2,(H,14,17)(H,15,16,18).
What are the key properties of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide has a molecular weight of 268.22 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119043080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).