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

C16H19N5O — CID 135815267

IUPAC5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(Cc3cccc(N)c3)nc12
InChIInChI=1S/C16H19N5O/c1-3-5-12-14-15(21(2)20-12)16(22)19-13(18-14)9-10-6-4-7-11(17)8-10/h4,6-8H,3,5,9,17H2,1-2H3,(H,18,19,22)
InChIKeyGSUAKMHRRLYQMT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.78
Rot. Bonds4

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

5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135815267) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135815267
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(Cc3cccc(N)c3)nc12
InChIInChI=1S/C16H19N5O/c1-3-5-12-14-15(21(2)20-12)16(22)19-13(18-14)9-10-6-4-7-11(17)8-10/h4,6-8H,3,5,9,17H2,1-2H3,(H,18,19,22)
InChIKeyGSUAKMHRRLYQMT-UHFFFAOYSA-N
XLogP1.78
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[(3-nitrophenyl)methyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135815251
4-[(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)methyl]benzenesulfonyl chloride
CID 135815255
1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832631
1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135422892
5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136618124
1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137007127
1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907879
1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907933
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
3-[(4-methylsulfonyl-1H-benzimidazol-2-yl)methyl]aniline
CID 82000584
5-[2-(3,4-diethoxyphenyl)ethylamino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907855

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135815267) is 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(Cc3cccc(N)c3)nc12.
What is the InChIKey of 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GSUAKMHRRLYQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-5-12-14-15(21(2)20-12)16(22)19-13(18-14)9-10-6-4-7-11(17)8-10/h4,6-8H,3,5,9,17H2,1-2H3,(H,18,19,22).
What are the key properties of 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 297.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135815267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).