7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C14H13N5O — CID 168684799

IUPAC7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESC=CC1CC(=O)N(c2c(C#N)cnc3cc(C)nn23)C1
InChIInChI=1S/C14H13N5O/c1-3-10-5-13(20)18(8-10)14-11(6-15)7-16-12-4-9(2)17-19(12)14/h3-4,7,10H,1,5,8H2,2H3
InChIKeyHRXIAYWGSIVHLK-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.45
Rot. Bonds2

About 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 168684799) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID168684799
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESC=CC1CC(=O)N(c2c(C#N)cnc3cc(C)nn23)C1
InChIInChI=1S/C14H13N5O/c1-3-10-5-13(20)18(8-10)14-11(6-15)7-16-12-4-9(2)17-19(12)14/h3-4,7,10H,1,5,8H2,2H3
InChIKeyHRXIAYWGSIVHLK-UHFFFAOYSA-N
XLogP1.45
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 168659836
2-chloro-4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168686133
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684957
1-(5-chloro-4-methyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684694
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
3-bromo-4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168685980
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168686308
5-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-pyrrolidin-1-ylbenzonitrile
CID 168685794

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 168684799) is 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is C=CC1CC(=O)N(c2c(C#N)cnc3cc(C)nn23)C1.
What is the InChIKey of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is HRXIAYWGSIVHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-3-10-5-13(20)18(8-10)14-11(6-15)7-16-12-4-9(2)17-19(12)14/h3-4,7,10H,1,5,8H2,2H3.
What are the key properties of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 168684799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).