1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile

C16H22N4O — CID 56779301

IUPAC1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC2Cn2cccn2)CCCCC1
InChIInChI=1S/C16H22N4O/c17-13-16(7-2-1-3-8-16)15(21)20-11-4-6-14(20)12-19-10-5-9-18-19/h5,9-10,14H,1-4,6-8,11-12H2
InChIKeyWXBMEAQVXPHEED-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.35
Rot. Bonds3

About 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile

1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 56779301) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
PubChem CID56779301
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC2Cn2cccn2)CCCCC1
InChIInChI=1S/C16H22N4O/c17-13-16(7-2-1-3-8-16)15(21)20-11-4-6-14(20)12-19-10-5-9-18-19/h5,9-10,14H,1-4,6-8,11-12H2
InChIKeyWXBMEAQVXPHEED-UHFFFAOYSA-N
XLogP2.35
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779437
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114011856
1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 83056317
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 56779158
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 111472404
[(3S)-1,1-dioxothiolan-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95319762
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95352596
2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
CID 95354686
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 80598710

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile (CID 56779301) is 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CCCC2Cn2cccn2)CCCCC1.
What is the InChIKey of 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is WXBMEAQVXPHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-13-16(7-2-1-3-8-16)15(21)20-11-4-6-14(20)12-19-10-5-9-18-19/h5,9-10,14H,1-4,6-8,11-12H2.
What are the key properties of 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 56779301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).