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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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).