5-(difluoromethyl)-1H-pyrazole-4-carboxamide

C5H5F2N3O — CID 54533637

IUPAC5-(difluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C5H5F2N3O/c6-4(7)3-2(5(8)11)1-9-10-3/h1,4H,(H2,8,11)(H,9,10)
InChIKeyYYGXVQKHYSSZOA-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.45
Rot. Bonds2

About 5-(difluoromethyl)-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54533637) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID54533637
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC Name5-(difluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C5H5F2N3O/c6-4(7)3-2(5(8)11)1-9-10-3/h1,4H,(H2,8,11)(H,9,10)
InChIKeyYYGXVQKHYSSZOA-UHFFFAOYSA-N
XLogP0.45
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 19754697
3-methyl-1H-pyrazole-4-carbaldehyde
CID 2760056
3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 28875391
1-(5-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 13221039
1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 12240775
3-methyl-1H-pyrazole-4-carbohydrazide
CID 50987772
3-(Difluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 130274307
2,2,2-Trifluoro-1-(5-(trifluoromethyl)-1H-pyrazol-4-yl)ethanone
CID 11009809
Pyrazole-3,4-dicarboxamide
CID 23164597
5-(Trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66781137
1-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)ethanone
CID 82653905
5-(aminomethyl)-1H-pyrazole-4-carbohydrazide dihydrochloride
CID 165915953

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-1H-pyrazole-4-carboxamide (CID 54533637) is 5-(difluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YYGXVQKHYSSZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-4(7)3-2(5(8)11)1-9-10-3/h1,4H,(H2,8,11)(H,9,10).
What are the key properties of 5-(difluoromethyl)-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 161.11 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54533637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).