5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

C17H20N4O — CID 82271307

IUPAC5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2cc3n(C)c(CCCN)cc(=O)n3n2)cc1
InChIInChI=1S/C17H20N4O/c1-12-5-7-13(8-6-12)15-11-16-20(2)14(4-3-9-18)10-17(22)21(16)19-15/h5-8,10-11H,3-4,9,18H2,1-2H3
InChIKeyLSYSGGXJVBEDTL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.90
Rot. Bonds4

About 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271307) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271307
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2cc3n(C)c(CCCN)cc(=O)n3n2)cc1
InChIInChI=1S/C17H20N4O/c1-12-5-7-13(8-6-12)15-11-16-20(2)14(4-3-9-18)10-17(22)21(16)19-15/h5-8,10-11H,3-4,9,18H2,1-2H3
InChIKeyLSYSGGXJVBEDTL-UHFFFAOYSA-N
XLogP1.90
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271251
5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271191
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271281
5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271236
5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271338
4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271379
5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271225
5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271318
3-(5-methyl-7-oxo-2-phenylpyrazolo[1,5-a]pyrimidin-4-yl)propanenitrile
CID 35433291
1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
CID 82117734
1,5-dimethyl-3-(4-methylphenyl)pyrazole
CID 10679126

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 82271307) is 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccc(-c2cc3n(C)c(CCCN)cc(=O)n3n2)cc1.
What is the InChIKey of 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LSYSGGXJVBEDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-5-7-13(8-6-12)15-11-16-20(2)14(4-3-9-18)10-17(22)21(16)19-15/h5-8,10-11H,3-4,9,18H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 296.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).