1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile

C9H10N4O — CID 118061157

IUPAC1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile
SMILESCn1ccc(N2CCC(C#N)C2=O)n1
InChIInChI=1S/C9H10N4O/c1-12-4-3-8(11-12)13-5-2-7(6-10)9(13)14/h3-4,7H,2,5H2,1H3
InChIKeySEGVCWBVTVDIOU-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.30
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile

1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile (PubChem CID 118061157) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile
PubChem CID118061157
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile
SMILESCn1ccc(N2CCC(C#N)C2=O)n1
InChIInChI=1S/C9H10N4O/c1-12-4-3-8(11-12)13-5-2-7(6-10)9(13)14/h3-4,7H,2,5H2,1H3
InChIKeySEGVCWBVTVDIOU-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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Related Compounds

1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile
CID 79786447
3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
CID 119920464
1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 50742723
3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 111750131
(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 129446009
3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 166293940
(3S)-3-(2-fluoro-3-methylphenoxy)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 99777183
(3R)-1-(1-methylpyrazol-3-yl)-3-[[(3R,4S)-4-methylthiolan-3-yl]amino]piperidin-2-one
CID 125142737
3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 133410505
3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 91646998
(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one
CID 99820388
2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
CID 122137425

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile (CID 118061157) is 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile is Cn1ccc(N2CCC(C#N)C2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is SEGVCWBVTVDIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-4-3-8(11-12)13-5-2-7(6-10)9(13)14/h3-4,7H,2,5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile?
1-(1-methylpyrazol-3-yl)-2-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)-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 118061157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).