N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide

C6H7F2N3O — CID 79078834

IUPACN-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(F)F)c1cn[nH]c1
InChIInChI=1S/C6H7F2N3O/c7-5(8)3-9-6(12)4-1-10-11-2-4/h1-2,5H,3H2,(H,9,12)(H,10,11)
InChIKeyLAHVVVXNIATJQP-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.40
Rot. Bonds3

About N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide

N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 79078834) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID79078834
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC NameN-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(F)F)c1cn[nH]c1
InChIInChI=1S/C6H7F2N3O/c7-5(8)3-9-6(12)4-1-10-11-2-4/h1-2,5H,3H2,(H,9,12)(H,10,11)
InChIKeyLAHVVVXNIATJQP-UHFFFAOYSA-N
XLogP0.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide (CID 79078834) is N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide is O=C(NCC(F)F)c1cn[nH]c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is LAHVVVXNIATJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-5(8)3-9-6(12)4-1-10-11-2-4/h1-2,5H,3H2,(H,9,12)(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 175.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79078834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).