N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide

C8H11F2N3O — CID 126793928

IUPACN-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1ccn[nH]1)C(C)(F)F
InChIInChI=1S/C8H11F2N3O/c1-5(8(2,9)10)12-7(14)6-3-4-11-13-6/h3-5H,1-2H3,(H,11,13)(H,12,14)
InChIKeyBETZAOYUVIZGBD-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.18
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide

N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 126793928) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID126793928
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1ccn[nH]1)C(C)(F)F
InChIInChI=1S/C8H11F2N3O/c1-5(8(2,9)10)12-7(14)6-3-4-11-13-6/h3-5H,1-2H3,(H,11,13)(H,12,14)
InChIKeyBETZAOYUVIZGBD-UHFFFAOYSA-N
XLogP1.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide (CID 126793928) is N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide is CC(NC(=O)c1ccn[nH]1)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BETZAOYUVIZGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5(8(2,9)10)12-7(14)6-3-4-11-13-6/h3-5H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide?
N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 203.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126793928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).