3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile

C15H17N3O — CID 115481322

IUPAC3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile
SMILESCCCn1nccc1C(C)(O)c1cccc(C#N)c1
InChIInChI=1S/C15H17N3O/c1-3-9-18-14(7-8-17-18)15(2,19)13-6-4-5-12(10-13)11-16/h4-8,10,19H,3,9H2,1-2H3
InChIKeyJUKQAXDEAKJWJJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.42
Rot. Bonds4

About 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile

3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile (PubChem CID 115481322) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile
PubChem CID115481322
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile
SMILESCCCn1nccc1C(C)(O)c1cccc(C#N)c1
InChIInChI=1S/C15H17N3O/c1-3-9-18-14(7-8-17-18)15(2,19)13-6-4-5-12(10-13)11-16/h4-8,10,19H,3,9H2,1-2H3
InChIKeyJUKQAXDEAKJWJJ-UHFFFAOYSA-N
XLogP2.42
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975243
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114080715
3-[1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481288
4-[1-hydroxy-1-(3-propyltriazol-4-yl)ethyl]benzonitrile
CID 114685333
3-[1-(4-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481471
3-(2-sulfanylpropan-2-yl)benzonitrile
CID 91874176
3-[1-(4-bromo-1,3-thiazol-2-yl)-1-hydroxyethyl]benzonitrile
CID 114684428
3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile
CID 115481316
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
3-[1-(2,5-dimethylphenyl)-1-hydroxyethyl]benzonitrile
CID 115481441
1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63962622

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile?
The IUPAC name of 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile (CID 115481322) is 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile?
The canonical SMILES for 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile is CCCn1nccc1C(C)(O)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile?
The InChIKey is JUKQAXDEAKJWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-9-18-14(7-8-17-18)15(2,19)13-6-4-5-12(10-13)11-16/h4-8,10,19H,3,9H2,1-2H3.
What are the key properties of 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile?
3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile is sourced from PubChem (CID 115481322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).