3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile

C18H20N6O2 — CID 69360823

IUPAC3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile
SMILESCCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(-n2nccn2)c1
InChIInChI=1S/C18H20N6O2/c1-3-16-18(17(4-2)23(22-16)7-8-25)26-15-10-13(12-19)9-14(11-15)24-20-5-6-21-24/h5-6,9-11,25H,3-4,7-8H2,1-2H3
InChIKeyKXIORUZHTYGSQY-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.24
Rot. Bonds7

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

3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile (PubChem CID 69360823) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile
PubChem CID69360823
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile
SMILESCCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(-n2nccn2)c1
InChIInChI=1S/C18H20N6O2/c1-3-16-18(17(4-2)23(22-16)7-8-25)26-15-10-13(12-19)9-14(11-15)24-20-5-6-21-24/h5-6,9-11,25H,3-4,7-8H2,1-2H3
InChIKeyKXIORUZHTYGSQY-UHFFFAOYSA-N
XLogP2.24
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]ethyl hydrogen sulfate
CID 155928812
5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-2-methylsulfanylbenzonitrile
CID 142181292
2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]acetic acid
CID 69361841
4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile
CID 68918134
3-[5-ethyl-1-(2-hydroxyethyl)-3-propan-2-ylpyrazol-4-yl]oxy-5-isocyanobenzonitrile
CID 21055145
5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile
CID 10405278
2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine
CID 10268315
3-[3,5-diethyl-1-[3-(oxan-2-yloxy)propyl]pyrazol-4-yl]oxy-5-isocyanobenzonitrile
CID 21055132
N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide
CID 68954223
5-(3-ethyl-1-phenyl-5-pyrimidin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile
CID 10047020
2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine
CID 173163505
3-[2-(dimethylamino)ethoxy]-5-[5-ethyl-3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]oxybenzonitrile
CID 71211537

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile?
The IUPAC name of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile (CID 69360823) is 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile.
What is the SMILES notation for 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile?
The canonical SMILES for 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile is CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(-n2nccn2)c1.
What is the InChIKey of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile?
The InChIKey is KXIORUZHTYGSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-16-18(17(4-2)23(22-16)7-8-25)26-15-10-13(12-19)9-14(11-15)24-20-5-6-21-24/h5-6,9-11,25H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile?
3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile has a molecular weight of 352.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile is sourced from PubChem (CID 69360823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).