3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile

C14H15N3O2 — CID 114637583

IUPAC3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
SMILESCCn1ncc(OC)c1C(O)c1cccc(C#N)c1
InChIInChI=1S/C14H15N3O2/c1-3-17-13(12(19-2)9-16-17)14(18)11-6-4-5-10(7-11)8-15/h4-7,9,14,18H,3H2,1-2H3
InChIKeyYIWKXNZHVKYXDG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.86
Rot. Bonds4

About 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile

3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile (PubChem CID 114637583) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
PubChem CID114637583
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
SMILESCCn1ncc(OC)c1C(O)c1cccc(C#N)c1
InChIInChI=1S/C14H15N3O2/c1-3-17-13(12(19-2)9-16-17)14(18)11-6-4-5-10(7-11)8-15/h4-7,9,14,18H,3H2,1-2H3
InChIKeyYIWKXNZHVKYXDG-UHFFFAOYSA-N
XLogP1.86
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]benzonitrile
CID 114637573
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
3-[(4-bromo-1-propylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637584
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636366
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
2,3-dihydro-1H-inden-5-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837075
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
CID 115481118

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile?
The IUPAC name of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile (CID 114637583) is 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile.
What is the SMILES notation for 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile?
The canonical SMILES for 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile is CCn1ncc(OC)c1C(O)c1cccc(C#N)c1.
What is the InChIKey of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile?
The InChIKey is YIWKXNZHVKYXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-17-13(12(19-2)9-16-17)14(18)11-6-4-5-10(7-11)8-15/h4-7,9,14,18H,3H2,1-2H3.
What are the key properties of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile?
3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile has a molecular weight of 257.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile is sourced from PubChem (CID 114637583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).