4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile

C16H19N3O — CID 115480834

IUPAC4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
SMILESCCc1cc(CC(O)c2ccc(C#N)cc2)n(CC)n1
InChIInChI=1S/C16H19N3O/c1-3-14-9-15(19(4-2)18-14)10-16(20)13-7-5-12(11-17)6-8-13/h5-9,16,20H,3-4,10H2,1-2H3
InChIKeyGZZLFLPMJOTSKA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.61
Rot. Bonds5

About 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile

4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile (PubChem CID 115480834) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
PubChem CID115480834
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
SMILESCCc1cc(CC(O)c2ccc(C#N)cc2)n(CC)n1
InChIInChI=1S/C16H19N3O/c1-3-14-9-15(19(4-2)18-14)10-16(20)13-7-5-12(11-17)6-8-13/h5-9,16,20H,3-4,10H2,1-2H3
InChIKeyGZZLFLPMJOTSKA-UHFFFAOYSA-N
XLogP2.61
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
4-[(1S)-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-hydroxyethyl]benzonitrile
CID 97157266
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
[2-(1,3-diethylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190937
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 103408103
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
5-[3-bromo-2-(4-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 79435546
3-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115481077
[1-(3-chloro-4-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105218225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile (CID 115480834) is 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile is CCc1cc(CC(O)c2ccc(C#N)cc2)n(CC)n1.
What is the InChIKey of 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile?
The InChIKey is GZZLFLPMJOTSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-14-9-15(19(4-2)18-14)10-16(20)13-7-5-12(11-17)6-8-13/h5-9,16,20H,3-4,10H2,1-2H3.
What are the key properties of 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile?
4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 115480834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).