2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile

C12H18N4 — CID 103570242

IUPAC2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile
SMILESCCn1cc(C(C#N)N2CCCCC2)cn1
InChIInChI=1S/C12H18N4/c1-2-16-10-11(9-14-16)12(8-13)15-6-4-3-5-7-15/h9-10,12H,2-7H2,1H3
InChIKeyOSTUWNPNHAXPEJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.95
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile

2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile (PubChem CID 103570242) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile
PubChem CID103570242
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile
SMILESCCn1cc(C(C#N)N2CCCCC2)cn1
InChIInChI=1S/C12H18N4/c1-2-16-10-11(9-14-16)12(8-13)15-6-4-3-5-7-15/h9-10,12H,2-7H2,1H3
InChIKeyOSTUWNPNHAXPEJ-UHFFFAOYSA-N
XLogP1.95
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-2-(1-ethylpyrazol-4-yl)acetonitrile
CID 103570244
2-(azepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104823105
(1-ethylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79059497
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
2-(3,3-dimethylpiperidin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569630
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069578
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile;hydrochloride
CID 91664109
2-(4-ethoxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
CID 3161849
2-(azepan-1-yl)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648803
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-(1-ethylpyrazol-4-yl)oxypropanenitrile
CID 116804628

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile (CID 103570242) is 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile is CCn1cc(C(C#N)N2CCCCC2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile?
The InChIKey is OSTUWNPNHAXPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-16-10-11(9-14-16)12(8-13)15-6-4-3-5-7-15/h9-10,12H,2-7H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile?
2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 103570242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).