4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile

C16H19N3O — CID 68918134

IUPAC4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile
SMILESCCc1nn(CC)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C16H19N3O/c1-4-14-16(15(5-2)19(6-3)18-14)20-13-9-7-12(11-17)8-10-13/h7-10H,4-6H2,1-3H3
InChIKeyYBXUIHHRPAYQDR-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.69
Rot. Bonds5

About 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile

4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile (PubChem CID 68918134) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile
PubChem CID68918134
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile
SMILESCCc1nn(CC)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C16H19N3O/c1-4-14-16(15(5-2)19(6-3)18-14)20-13-9-7-12(11-17)8-10-13/h7-10H,4-6H2,1-3H3
InChIKeyYBXUIHHRPAYQDR-UHFFFAOYSA-N
XLogP3.69
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide
CID 68954223
2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]acetic acid
CID 69361841
3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile
CID 69360823
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
4-[(3,5-diethyl-4-nitrosopyrazol-1-yl)methyl]benzonitrile
CID 123705389
4-[(2,4-diethyl-1H-pyrrol-3-yl)oxy]benzonitrile
CID 46889764
4-[3-(4-cyanophenoxy)-4-ethylphenoxy]benzonitrile
CID 19038454
3-bromo-4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]benzonitrile
CID 107789985
4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
CID 175999058
4-(4-propylphenoxy)benzonitrile
CID 20986267
4-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenoxy]benzonitrile
CID 133428811

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile?
The IUPAC name of 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile (CID 68918134) is 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile is CCc1nn(CC)c(CC)c1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile?
The InChIKey is YBXUIHHRPAYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-14-16(15(5-2)19(6-3)18-14)20-13-9-7-12(11-17)8-10-13/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile?
4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile is sourced from PubChem (CID 68918134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).