5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C15H16N4O — CID 137286582

IUPAC5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccc(C(C)c2[nH]nc3c(=O)[nH]c(C)nc23)cc1
InChIInChI=1S/C15H16N4O/c1-8-4-6-11(7-5-8)9(2)12-13-14(19-18-12)15(20)17-10(3)16-13/h4-7,9H,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyVFCZHLRSNMVPFN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.41
Rot. Bonds2

About 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 137286582) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID137286582
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccc(C(C)c2[nH]nc3c(=O)[nH]c(C)nc23)cc1
InChIInChI=1S/C15H16N4O/c1-8-4-6-11(7-5-8)9(2)12-13-14(19-18-12)15(20)17-10(3)16-13/h4-7,9H,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyVFCZHLRSNMVPFN-UHFFFAOYSA-N
XLogP2.41
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 137286582) is 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is Cc1ccc(C(C)c2[nH]nc3c(=O)[nH]c(C)nc23)cc1.
What is the InChIKey of 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is VFCZHLRSNMVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-8-4-6-11(7-5-8)9(2)12-13-14(19-18-12)15(20)17-10(3)16-13/h4-7,9H,1-3H3,(H,18,19)(H,16,17,20).
What are the key properties of 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 268.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 137286582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).