2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile

C10H14N4 — CID 105444431

IUPAC2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
SMILESCCN1CCC(n2nccc2C#N)C1
InChIInChI=1S/C10H14N4/c1-2-13-6-4-10(8-13)14-9(7-11)3-5-12-14/h3,5,10H,2,4,6,8H2,1H3
InChIKeyJGUQJDREUKUHCN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.02
Rot. Bonds2

About 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile

2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile (PubChem CID 105444431) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
PubChem CID105444431
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
SMILESCCN1CCC(n2nccc2C#N)C1
InChIInChI=1S/C10H14N4/c1-2-13-6-4-10(8-13)14-9(7-11)3-5-12-14/h3,5,10H,2,4,6,8H2,1H3
InChIKeyJGUQJDREUKUHCN-UHFFFAOYSA-N
XLogP1.02
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 84732987
2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105498249
2-(azetidin-3-yl)pyrazole-3-carbonitrile
CID 84731232
2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
CID 105480601
5-bromo-1-(1-ethylazetidin-3-yl)pyrazole
CID 105487452
4-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 95714599
4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 56891678
3-[[[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]amino]methyl]benzonitrile
CID 119110667
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80510426
5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901665

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile (CID 105444431) is 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile is CCN1CCC(n2nccc2C#N)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile?
The InChIKey is JGUQJDREUKUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-13-6-4-10(8-13)14-9(7-11)3-5-12-14/h3,5,10H,2,4,6,8H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile?
2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 105444431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).