1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C14H17N5O — CID 135422892

IUPAC1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cccn3C)nc12
InChIInChI=1S/C14H17N5O/c1-4-6-9-11-12(19(3)17-9)14(20)16-13(15-11)10-7-5-8-18(10)2/h5,7-8H,4,6H2,1-3H3,(H,15,16,20)
InChIKeyHOVACVSGHFRWGM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.61
Rot. Bonds3

About 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135422892) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135422892
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cccn3C)nc12
InChIInChI=1S/C14H17N5O/c1-4-6-9-11-12(19(3)17-9)14(20)16-13(15-11)10-7-5-8-18(10)2/h5,7-8H,4,6H2,1-3H3,(H,15,16,20)
InChIKeyHOVACVSGHFRWGM-UHFFFAOYSA-N
XLogP1.61
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136618124
1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832631
5-(3-bromo-4-fluorophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137159755
5-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969652
1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137007127
1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907933
1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907879
5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135559102
5-(5-aminosulfanyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 166475417
5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135815267
1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 155668784
3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135499879

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135422892) is 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(-c3cccn3C)nc12.
What is the InChIKey of 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is HOVACVSGHFRWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-6-9-11-12(19(3)17-9)14(20)16-13(15-11)10-7-5-8-18(10)2/h5,7-8H,4,6H2,1-3H3,(H,15,16,20).
What are the key properties of 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 271.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135422892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).