N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

C14H12F2N6O — CID 154863063

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C14H12F2N6O/c15-11(16)8-22-6-4-12(21-22)19-14(23)9-7-18-20-13(9)10-3-1-2-5-17-10/h1-7,11H,8H2,(H,18,20)(H,19,21,23)
InChIKeyWKNOOSBFPGZVEG-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.19
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 154863063) has the molecular formula C14H12F2N6O and a molecular weight of 318.29 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID154863063
Molecular FormulaC14H12F2N6O
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C14H12F2N6O/c15-11(16)8-22-6-4-12(21-22)19-14(23)9-7-18-20-13(9)10-3-1-2-5-17-10/h1-7,11H,8H2,(H,18,20)(H,19,21,23)
InChIKeyWKNOOSBFPGZVEG-UHFFFAOYSA-N
XLogP2.19
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 154863063) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is O=C(Nc1ccn(CC(F)F)n1)c1cn[nH]c1-c1ccccn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is WKNOOSBFPGZVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6O/c15-11(16)8-22-6-4-12(21-22)19-14(23)9-7-18-20-13(9)10-3-1-2-5-17-10/h1-7,11H,8H2,(H,18,20)(H,19,21,23).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154863063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).