6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile

C16H19N5O — CID 51104281

IUPAC6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3ccnn3CCO)CC2)nc1
InChIInChI=1S/C16H19N5O/c17-11-13-1-2-16(18-12-13)20-7-4-14(5-8-20)15-3-6-19-21(15)9-10-22/h1-3,6,12,14,22H,4-5,7-10H2
InChIKeyNDOMYOSARNSVPS-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.53
Rot. Bonds4

About 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 51104281) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID51104281
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3ccnn3CCO)CC2)nc1
InChIInChI=1S/C16H19N5O/c17-11-13-1-2-16(18-12-13)20-7-4-14(5-8-20)15-3-6-19-21(15)9-10-22/h1-3,6,12,14,22H,4-5,7-10H2
InChIKeyNDOMYOSARNSVPS-UHFFFAOYSA-N
XLogP1.53
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 51104281) is 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(c3ccnn3CCO)CC2)nc1.
What is the InChIKey of 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NDOMYOSARNSVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-11-13-1-2-16(18-12-13)20-7-4-14(5-8-20)15-3-6-19-21(15)9-10-22/h1-3,6,12,14,22H,4-5,7-10H2.
What are the key properties of 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 51104281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).