4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one

C12H14N4O — CID 162663255

IUPAC4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc3c(c2C)CCC3)n1
InChIInChI=1S/C12H14N4O/c1-7-6-11(17)14-12(13-7)16-8(2)9-4-3-5-10(9)15-16/h6H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyRWLLEKZJBJXNSD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.06
Rot. Bonds1

About 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one

4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 162663255) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one
PubChem CID162663255
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc3c(c2C)CCC3)n1
InChIInChI=1S/C12H14N4O/c1-7-6-11(17)14-12(13-7)16-8(2)9-4-3-5-10(9)15-16/h6H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyRWLLEKZJBJXNSD-UHFFFAOYSA-N
XLogP1.06
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one (CID 162663255) is 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc3c(c2C)CCC3)n1.
What is the InChIKey of 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is RWLLEKZJBJXNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-6-11(17)14-12(13-7)16-8(2)9-4-3-5-10(9)15-16/h6H,3-5H2,1-2H3,(H,13,14,17).
What are the key properties of 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one?
4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162663255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).