5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C6H8FN3O — CID 11298106

IUPAC5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(N)=O
InChIInChI=1S/C6H8FN3O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3,(H2,8,11)
InChIKeyIOGCHBMFOXWVLY-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.03
Rot. Bonds1

About 5-fluoro-1,3-dimethylpyrazole-4-carboxamide

5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 11298106) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID11298106
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(N)=O
InChIInChI=1S/C6H8FN3O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3,(H2,8,11)
InChIKeyIOGCHBMFOXWVLY-UHFFFAOYSA-N
XLogP-0.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1474979
1,3,5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 1472343
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
5-Fluoro-1,3-dimethyl-1H-pyrazole-4-carbonyl fluoride
CID 10855763
5-fluoro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 18975489
3-(Difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carbonyl fluoride
CID 58526622
1-ethyl-5-fluoro-3-methyl-1H-pyrazole-4-carbaldehyde
CID 119056208
1-(Difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
CID 4773813
5-Fluoro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride
CID 10866879
5-Chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 17984268

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 11298106) is 5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(N)=O.
What is the InChIKey of 5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is IOGCHBMFOXWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3,(H2,8,11).
What are the key properties of 5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 157.15 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 11298106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).