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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Related Compounds

1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide
CID 154864337
5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride
CID 121229973
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
CID 119341237
5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 16622153
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71984854
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 166374781
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 146702892
4-(pyrazol-1-ylmethyl)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 167793596
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-ylphenyl)acetamide
CID 118560230
(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
methyl 5-[[1-(2,2-difluoroethyl)pyrazol-3-yl]carbamoyl]pyridine-3-carboxylate
CID 71905723

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).