2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H15N5O — CID 59723271

IUPAC2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1
InChIInChI=1S/C17H15N5O/c1-11-3-2-4-12(9-11)16-18-6-5-13(20-16)14-10-15-17(23)19-7-8-22(15)21-14/h2-6,9-10H,7-8H2,1H3,(H,19,23)
InChIKeyNGAOMRGRQVALDV-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.06
Rot. Bonds2

About 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723271) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723271
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1
InChIInChI=1S/C17H15N5O/c1-11-3-2-4-12(9-11)16-18-6-5-13(20-16)14-10-15-17(23)19-7-8-22(15)21-14/h2-6,9-10H,7-8H2,1H3,(H,19,23)
InChIKeyNGAOMRGRQVALDV-UHFFFAOYSA-N
XLogP2.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723271) is 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NGAOMRGRQVALDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-3-2-4-12(9-11)16-18-6-5-13(20-16)14-10-15-17(23)19-7-8-22(15)21-14/h2-6,9-10H,7-8H2,1H3,(H,19,23).
What are the key properties of 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 305.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).