5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C16H19N5O — CID 126803622

IUPAC5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Cn1cnc2c(cnn2C)c1=O)NCc1ccccc1
InChIInChI=1S/C16H19N5O/c1-12(17-8-13-6-4-3-5-7-13)10-21-11-18-15-14(16(21)22)9-19-20(15)2/h3-7,9,11-12,17H,8,10H2,1-2H3
InChIKeyLAZYHORRHVWRIB-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.31
Rot. Bonds5

About 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126803622) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126803622
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Cn1cnc2c(cnn2C)c1=O)NCc1ccccc1
InChIInChI=1S/C16H19N5O/c1-12(17-8-13-6-4-3-5-7-13)10-21-11-18-15-14(16(21)22)9-19-20(15)2/h3-7,9,11-12,17H,8,10H2,1-2H3
InChIKeyLAZYHORRHVWRIB-UHFFFAOYSA-N
XLogP1.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277108
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
CID 18134744
N-(1,2-diphenylethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24682393
5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 107506237
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277018
5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912458
1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 47085998
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 126803622) is 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is CC(Cn1cnc2c(cnn2C)c1=O)NCc1ccccc1.
What is the InChIKey of 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LAZYHORRHVWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(17-8-13-6-4-3-5-7-13)10-21-11-18-15-14(16(21)22)9-19-20(15)2/h3-7,9,11-12,17H,8,10H2,1-2H3.
What are the key properties of 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126803622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).