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

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Related Compounds

1-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947750
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947684
1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947766
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947753
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
CID 105491775
tert-butyl (3S)-3-(4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
CID 172557595
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900794
1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900704
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717

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).