3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol

C16H22N2O — CID 79436904

IUPAC3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCCn1nc(C)cc1CC(CO)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-4-18-16(9-13(3)17-18)10-15(11-19)14-7-5-12(2)6-8-14/h5-9,15,19H,4,10-11H2,1-3H3
InChIKeyQFPIXVQKZTXGQV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.84
Rot. Bonds5

About 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol

3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 79436904) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
PubChem CID79436904
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCCn1nc(C)cc1CC(CO)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-4-18-16(9-13(3)17-18)10-15(11-19)14-7-5-12(2)6-8-14/h5-9,15,19H,4,10-11H2,1-3H3
InChIKeyQFPIXVQKZTXGQV-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-chloro-2-(4-methylphenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79435964
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
CID 105162471
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059722
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79444422
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
CID 105109667
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115816490
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
5-(3-chloro-2-methyl-3-phenylpropyl)-1-ethyl-3-methylpyrazole
CID 113460182
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol (CID 79436904) is 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol is CCn1nc(C)cc1CC(CO)c1ccc(C)cc1.
What is the InChIKey of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is QFPIXVQKZTXGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18-16(9-13(3)17-18)10-15(11-19)14-7-5-12(2)6-8-14/h5-9,15,19H,4,10-11H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol?
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 79436904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).