5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile

C11H14N4O2 — CID 168662914

IUPAC5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CC(CO)CC2=O)c1C#N
InChIInChI=1S/C11H14N4O2/c1-7-9(4-12)11(14(2)13-7)15-5-8(6-16)3-10(15)17/h8,16H,3,5-6H2,1-2H3
InChIKeyPSESTFJLCCDVJN-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.05
Rot. Bonds2

About 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile

5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 168662914) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID168662914
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CC(CO)CC2=O)c1C#N
InChIInChI=1S/C11H14N4O2/c1-7-9(4-12)11(14(2)13-7)15-5-8(6-16)3-10(15)17/h8,16H,3,5-6H2,1-2H3
InChIKeyPSESTFJLCCDVJN-UHFFFAOYSA-N
XLogP-0.05
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681764
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 168662736
5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65249409
4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663422
5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758006
methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 168662940
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663615
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxylic acid
CID 63758860
1-(5-chloro-4-methyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662706
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylic acid
CID 63758170
4-(hydroxymethyl)-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168662716

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile (CID 168662914) is 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N2CC(CO)CC2=O)c1C#N.
What is the InChIKey of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is PSESTFJLCCDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-9(4-12)11(14(2)13-7)15-5-8(6-16)3-10(15)17/h8,16H,3,5-6H2,1-2H3.
What are the key properties of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 168662914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).