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

C15H22N4O — CID 115054563

IUPAC3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(CCC3CCNC3)nc12
InChIInChI=1S/C15H22N4O/c1-10(2)13-9-17-19-14(20)7-12(18-15(13)19)4-3-11-5-6-16-8-11/h7,9-11,16-17H,3-6,8H2,1-2H3
InChIKeyMOVAKLYJWCPWFO-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.69
Rot. Bonds4

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

3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115054563) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115054563
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(CCC3CCNC3)nc12
InChIInChI=1S/C15H22N4O/c1-10(2)13-9-17-19-14(20)7-12(18-15(13)19)4-3-11-5-6-16-8-11/h7,9-11,16-17H,3-6,8H2,1-2H3
InChIKeyMOVAKLYJWCPWFO-UHFFFAOYSA-N
XLogP1.69
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054511
5-piperidin-3-yl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054548
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054456
5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308884
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
2-phenyl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054508
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054570
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115054563) is 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1c[nH]n2c(=O)cc(CCC3CCNC3)nc12.
What is the InChIKey of 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MOVAKLYJWCPWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)13-9-17-19-14(20)7-12(18-15(13)19)4-3-11-5-6-16-8-11/h7,9-11,16-17H,3-6,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 274.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115054563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).