1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

C11H16N4O — CID 126947667

IUPAC1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCOCCN1CCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C11H16N4O/c1-16-5-4-14-3-2-11(9-14)15-8-10(6-12)7-13-15/h7-8,11H,2-5,9H2,1H3
InChIKeyQJSOGXVUGKGJPU-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.65
Rot. Bonds4

About 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947667) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947667
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCOCCN1CCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C11H16N4O/c1-16-5-4-14-3-2-11(9-14)15-8-10(6-12)7-13-15/h7-8,11H,2-5,9H2,1H3
InChIKeyQJSOGXVUGKGJPU-UHFFFAOYSA-N
XLogP0.65
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947667) is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is COCCN1CCC(n2cc(C#N)cn2)C1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is QJSOGXVUGKGJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-16-5-4-14-3-2-11(9-14)15-8-10(6-12)7-13-15/h7-8,11H,2-5,9H2,1H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).