6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one

C16H13N5O — CID 118197436

IUPAC6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(-c2ccc(-c3cn4cncc4c(=O)[nH]3)cc2)cn1
InChIInChI=1S/C16H13N5O/c1-20-8-13(6-18-20)11-2-4-12(5-3-11)14-9-21-10-17-7-15(21)16(22)19-14/h2-10H,1H3,(H,19,22)
InChIKeyWWJXLPQFHGAGCO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.09
Rot. Bonds2

About 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one

6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 118197436) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID118197436
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(-c2ccc(-c3cn4cncc4c(=O)[nH]3)cc2)cn1
InChIInChI=1S/C16H13N5O/c1-20-8-13(6-18-20)11-2-4-12(5-3-11)14-9-21-10-17-7-15(21)16(22)19-14/h2-10H,1H3,(H,19,22)
InChIKeyWWJXLPQFHGAGCO-UHFFFAOYSA-N
XLogP2.09
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163301372
1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine
CID 146681810
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
CID 42624129
4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde
CID 155899056
8-(1-methylpyrazol-4-yl)-2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 168926384
bis(tert-butyl azepane-1-carboxylate);6-(1-methylpyrazol-4-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 163301446
7-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-imidazol-2-yl]heptanal
CID 130373774
5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one
CID 58016351

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 118197436) is 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one is Cn1cc(-c2ccc(-c3cn4cncc4c(=O)[nH]3)cc2)cn1.
What is the InChIKey of 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is WWJXLPQFHGAGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-20-8-13(6-18-20)11-2-4-12(5-3-11)14-9-21-10-17-7-15(21)16(22)19-14/h2-10H,1H3,(H,19,22).
What are the key properties of 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one?
6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 291.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 118197436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).