2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile

C12H18N4 — CID 105473088

IUPAC2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile
SMILESCCN1CCCC(n2cc(CC#N)cn2)C1
InChIInChI=1S/C12H18N4/c1-2-15-7-3-4-12(10-15)16-9-11(5-6-13)8-14-16/h8-9,12H,2-5,7,10H2,1H3
InChIKeyURUXOFNWMFEHPV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.61
Rot. Bonds3

About 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile

2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile (PubChem CID 105473088) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile
PubChem CID105473088
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile
SMILESCCN1CCCC(n2cc(CC#N)cn2)C1
InChIInChI=1S/C12H18N4/c1-2-15-7-3-4-12(10-15)16-9-11(5-6-13)8-14-16/h8-9,12H,2-5,7,10H2,1H3
InChIKeyURUXOFNWMFEHPV-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile?
The IUPAC name of 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile (CID 105473088) is 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile?
The canonical SMILES for 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile is CCN1CCCC(n2cc(CC#N)cn2)C1.
What is the InChIKey of 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile?
The InChIKey is URUXOFNWMFEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-15-7-3-4-12(10-15)16-9-11(5-6-13)8-14-16/h8-9,12H,2-5,7,10H2,1H3.
What are the key properties of 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile?
2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile is sourced from PubChem (CID 105473088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).