1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol

C14H18N2O2 — CID 107330025

IUPAC1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
SMILESCCOCC(C)(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-3-18-11-14(2,17)13-9-10-15-16(13)12-7-5-4-6-8-12/h4-10,17H,3,11H2,1-2H3
InChIKeyFNSQSQYTAZAQDT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds5

About 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol

1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol (PubChem CID 107330025) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
PubChem CID107330025
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
SMILESCCOCC(C)(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-3-18-11-14(2,17)13-9-10-15-16(13)12-7-5-4-6-8-12/h4-10,17H,3,11H2,1-2H3
InChIKeyFNSQSQYTAZAQDT-UHFFFAOYSA-N
XLogP2.12
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107329988
1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
CID 114685504
1-(cyclopropylamino)-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107331455
2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
CID 107330039
1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107329790
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol
CID 107329817
3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 107331523
N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
CID 107331269
2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330243
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol (CID 107330025) is 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol is CCOCC(C)(O)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol?
The InChIKey is FNSQSQYTAZAQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-11-14(2,17)13-9-10-15-16(13)12-7-5-4-6-8-12/h4-10,17H,3,11H2,1-2H3.
What are the key properties of 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol?
1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 107330025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).