3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C10H8FN5O — CID 163301372

IUPAC3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCn1cc(-c2cn3ncc(F)c3c(=O)[nH]2)cn1
InChIInChI=1S/C10H8FN5O/c1-15-4-6(2-12-15)8-5-16-9(10(17)14-8)7(11)3-13-16/h2-5H,1H3,(H,14,17)
InChIKeyCPVHTXPXTCXSMO-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.56
Rot. Bonds1

About 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one

3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163301372) has the molecular formula C10H8FN5O and a molecular weight of 233.21 g/mol. Its IUPAC name is 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163301372
Molecular FormulaC10H8FN5O
Molecular Weight233.21 g/mol
Exact Mass233.07
IUPAC Name3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCn1cc(-c2cn3ncc(F)c3c(=O)[nH]2)cn1
InChIInChI=1S/C10H8FN5O/c1-15-4-6(2-12-15)8-5-16-9(10(17)14-8)7(11)3-13-16/h2-5H,1H3,(H,14,17)
InChIKeyCPVHTXPXTCXSMO-UHFFFAOYSA-N
XLogP0.56
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 118197436
4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 163301882
2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine
CID 65456823
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771836
bis(tert-butyl azepane-1-carboxylate);6-(1-methylpyrazol-4-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 163301446
2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
CID 165392036
4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
CID 106515838
2-(3-bromo-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771732
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 63611285
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
6-(4-fluorophenyl)-2-(1-methylpyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138994697

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163301372) is 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one is Cn1cc(-c2cn3ncc(F)c3c(=O)[nH]2)cn1.
What is the InChIKey of 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CPVHTXPXTCXSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O/c1-15-4-6(2-12-15)8-5-16-9(10(17)14-8)7(11)3-13-16/h2-5H,1H3,(H,14,17).
What are the key properties of 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 233.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163301372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).