[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol

C16H22N2O2 — CID 54847198

IUPAC[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
SMILESCCCCCCOc1ccccc1-c1cc(CO)[nH]n1
InChIInChI=1S/C16H22N2O2/c1-2-3-4-7-10-20-16-9-6-5-8-14(16)15-11-13(12-19)17-18-15/h5-6,8-9,11,19H,2-4,7,10,12H2,1H3,(H,17,18)
InChIKeyCURPZZXASXRDJY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.53
Rot. Bonds8

About [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol

[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol (PubChem CID 54847198) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
PubChem CID54847198
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
SMILESCCCCCCOc1ccccc1-c1cc(CO)[nH]n1
InChIInChI=1S/C16H22N2O2/c1-2-3-4-7-10-20-16-9-6-5-8-14(16)15-11-13(12-19)17-18-15/h5-6,8-9,11,19H,2-4,7,10,12H2,1H3,(H,17,18)
InChIKeyCURPZZXASXRDJY-UHFFFAOYSA-N
XLogP3.53
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol 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

N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
4-[[3-(2-heptoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852118
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
1-octadecoxy-2-phenylbenzene
CID 70983974
4-methyl-2-(2-octoxyphenyl)pyridine
CID 158540184
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
(2-octoxyphenyl)methanol
CID 43128604
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847351

Frequently Asked Questions

What is the IUPAC name of [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol (CID 54847198) is [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol is CCCCCCOc1ccccc1-c1cc(CO)[nH]n1.
What is the InChIKey of [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is CURPZZXASXRDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-4-7-10-20-16-9-6-5-8-14(16)15-11-13(12-19)17-18-15/h5-6,8-9,11,19H,2-4,7,10,12H2,1H3,(H,17,18).
What are the key properties of [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol?
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 274.36 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 54847198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).