4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile

C16H19N3O2 — CID 45486826

IUPAC4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile
SMILESCCc1nn(CCO)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C16H19N3O2/c1-3-14-16(15(4-2)19(18-14)9-10-20)21-13-7-5-12(11-17)6-8-13/h5-8,20H,3-4,9-10H2,1-2H3
InChIKeyKEQJXYPJYZYQCG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.66
Rot. Bonds6

About 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile

4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile (PubChem CID 45486826) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile
PubChem CID45486826
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile
SMILESCCc1nn(CCO)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C16H19N3O2/c1-3-14-16(15(4-2)19(18-14)9-10-20)21-13-7-5-12(11-17)6-8-13/h5-8,20H,3-4,9-10H2,1-2H3
InChIKeyKEQJXYPJYZYQCG-UHFFFAOYSA-N
XLogP2.66
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile?
The IUPAC name of 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile (CID 45486826) is 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile is CCc1nn(CCO)c(CC)c1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile?
The InChIKey is KEQJXYPJYZYQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-14-16(15(4-2)19(18-14)9-10-20)21-13-7-5-12(11-17)6-8-13/h5-8,20H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile?
4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile has a molecular weight of 285.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile is sourced from PubChem (CID 45486826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).