N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide

C11H10F2N4O — CID 4775411

IUPACN-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESN#CC1=C(NC(=O)c2ccn(C(F)F)n2)CCC1
InChIInChI=1S/C11H10F2N4O/c12-11(13)17-5-4-9(16-17)10(18)15-8-3-1-2-7(8)6-14/h4-5,11H,1-3H2,(H,15,18)
InChIKeyLONGSUNNBMAMJE-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.97
Rot. Bonds3

About N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide

N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 4775411) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID4775411
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC NameN-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESN#CC1=C(NC(=O)c2ccn(C(F)F)n2)CCC1
InChIInChI=1S/C11H10F2N4O/c12-11(13)17-5-4-9(16-17)10(18)15-8-3-1-2-7(8)6-14/h4-5,11H,1-3H2,(H,15,18)
InChIKeyLONGSUNNBMAMJE-UHFFFAOYSA-N
XLogP1.97
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide
CID 891902
N-(2-cyano-1-cyclopenten-1-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841930
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 72151204
N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19584425
1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 19268545
1-(5,5-Difluorohexyl)pyrazole-3-carboxamide
CID 70864559
N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 123185812
N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 141144476
1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 141444545
1-butyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 141444547
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrazole-3-carboxamide
CID 154637391
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide
CID 154637394

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide (CID 4775411) is N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is N#CC1=C(NC(=O)c2ccn(C(F)F)n2)CCC1.
What is the InChIKey of N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is LONGSUNNBMAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c12-11(13)17-5-4-9(16-17)10(18)15-8-3-1-2-7(8)6-14/h4-5,11H,1-3H2,(H,15,18).
What are the key properties of N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide?
N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopenten-1-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4775411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).