2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol

C17H24N2O — CID 66059722

IUPAC2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCCn1nc(C)cc1CC(CO)Cc1ccccc1C
InChIInChI=1S/C17H24N2O/c1-4-19-17(9-14(3)18-19)11-15(12-20)10-16-8-6-5-7-13(16)2/h5-9,15,20H,4,10-12H2,1-3H3
InChIKeyHTFMEMPKRXNNKQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.91
Rot. Bonds6

About 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol

2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 66059722) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
PubChem CID66059722
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCCn1nc(C)cc1CC(CO)Cc1ccccc1C
InChIInChI=1S/C17H24N2O/c1-4-19-17(9-14(3)18-19)11-15(12-20)10-16-8-6-5-7-13(16)2/h5-9,15,20H,4,10-12H2,1-3H3
InChIKeyHTFMEMPKRXNNKQ-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 66059308
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
CID 79436904
[1-(2-chlorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105209436
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
5-(3-chloro-2-methyl-3-phenylpropyl)-1-ethyl-3-methylpyrazole
CID 113460182
[1-(2-ethyl-5-methylpyrazol-3-yl)-4-phenylbutan-2-yl]hydrazine
CID 105205592
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66036324
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol (CID 66059722) is 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol is CCn1nc(C)cc1CC(CO)Cc1ccccc1C.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is HTFMEMPKRXNNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-19-17(9-14(3)18-19)11-15(12-20)10-16-8-6-5-7-13(16)2/h5-9,15,20H,4,10-12H2,1-3H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 66059722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).