1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile

C9H10N4O — CID 79786447

IUPAC1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile
SMILESCn1ccc(N2CC(C#N)CC2=O)n1
InChIInChI=1S/C9H10N4O/c1-12-3-2-8(11-12)13-6-7(5-10)4-9(13)14/h2-3,7H,4,6H2,1H3
InChIKeyZFVWLQCHIFESES-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.30
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile

1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile (PubChem CID 79786447) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile
PubChem CID79786447
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile
SMILESCn1ccc(N2CC(C#N)CC2=O)n1
InChIInChI=1S/C9H10N4O/c1-12-3-2-8(11-12)13-6-7(5-10)4-9(13)14/h2-3,7H,4,6H2,1H3
InChIKeyZFVWLQCHIFESES-UHFFFAOYSA-N
XLogP0.30
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile (CID 79786447) is 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile is Cn1ccc(N2CC(C#N)CC2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is ZFVWLQCHIFESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-3-2-8(11-12)13-6-7(5-10)4-9(13)14/h2-3,7H,4,6H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile?
1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 79786447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).