2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile

C11H16N4 — CID 95609183

IUPAC2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C11H16N4/c12-5-9-14-7-2-1-4-11(14)10-15-8-3-6-13-15/h3,6,8,11H,1-2,4,7,9-10H2/t11-/m0/s1
InChIKeyUAODREXDMJLMFM-NSHDSACASA-N
MW204.28 g/mol
LogP1.26
Rot. Bonds3

About 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile

2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile (PubChem CID 95609183) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
PubChem CID95609183
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C11H16N4/c12-5-9-14-7-2-1-4-11(14)10-15-8-3-6-13-15/h3,6,8,11H,1-2,4,7,9-10H2/t11-/m0/s1
InChIKeyUAODREXDMJLMFM-NSHDSACASA-N
XLogP1.26
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95352596
N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95326358
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343944
5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343943
3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95609241
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
3-fluoro-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 56780416
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 95327720
5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95609203

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile (CID 95609183) is 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile is N#CCN1CCCC[C@H]1Cn1cccn1.
What is the InChIKey of 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile?
The InChIKey is UAODREXDMJLMFM-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N4/c12-5-9-14-7-2-1-4-11(14)10-15-8-3-6-13-15/h3,6,8,11H,1-2,4,7,9-10H2/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile?
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 95609183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).