3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one

C8H8FN3O — CID 137095947

IUPAC3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCc1cc2nn(C)c(F)c2c(=O)[nH]1
InChIInChI=1S/C8H8FN3O/c1-4-3-5-6(8(13)10-4)7(9)12(2)11-5/h3H,1-2H3,(H,10,13)
InChIKeyBVNPSGMKVCRYLQ-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.71
Rot. Bonds

About 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one

3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137095947) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137095947
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCc1cc2nn(C)c(F)c2c(=O)[nH]1
InChIInChI=1S/C8H8FN3O/c1-4-3-5-6(8(13)10-4)7(9)12(2)11-5/h3H,1-2H3,(H,10,13)
InChIKeyBVNPSGMKVCRYLQ-UHFFFAOYSA-N
XLogP0.71
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136025888
5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
CID 18923863
N-(cyclohexen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 117706805
6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137096038
N-[4-chloro-2-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 142208017
5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
CID 142208030
N-[(3Z,5Z)-2,3-dimethylhepta-1,3,5-trien-4-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 142208031
N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 143042085
N-[6-(3,3-dimethylbutyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 143042097
5-fluoro-1,3-dimethyl-N-[6-methyl-2-(3-methylbutan-2-yl)cyclohexa-1,3-dien-1-yl]pyrazole-4-carboxamide
CID 163523438
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexa-1,3-dien-1-yl]pyrazole-4-carboxamide
CID 163628056
6-iodo-1-methyl-3-(trifluoromethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 169148744

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137095947) is 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one is Cc1cc2nn(C)c(F)c2c(=O)[nH]1.
What is the InChIKey of 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is BVNPSGMKVCRYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-4-3-5-6(8(13)10-4)7(9)12(2)11-5/h3H,1-2H3,(H,10,13).
What are the key properties of 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one?
3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 181.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137095947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).