2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H18N4O — CID 115054457

IUPAC2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCC3CCNC3)cc(=O)n2[nH]1
InChIInChI=1S/C13H18N4O/c1-9-6-12-15-11(7-13(18)17(12)16-9)3-2-10-4-5-14-8-10/h6-7,10,14,16H,2-5,8H2,1H3
InChIKeyHKPBODKZLJINDI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds3

About 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115054457) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115054457
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCC3CCNC3)cc(=O)n2[nH]1
InChIInChI=1S/C13H18N4O/c1-9-6-12-15-11(7-13(18)17(12)16-9)3-2-10-4-5-14-8-10/h6-7,10,14,16H,2-5,8H2,1H3
InChIKeyHKPBODKZLJINDI-UHFFFAOYSA-N
XLogP0.87
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054456
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054511
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
2-phenyl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054508
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172670586
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one
CID 83858521
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
5-[[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115054457) is 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CCC3CCNC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HKPBODKZLJINDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-6-12-15-11(7-13(18)17(12)16-9)3-2-10-4-5-14-8-10/h6-7,10,14,16H,2-5,8H2,1H3.
What are the key properties of 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 246.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115054457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).