2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol

C16H22N2O — CID 103572665

IUPAC2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2c(C)cccc2C)cn1
InChIInChI=1S/C16H22N2O/c1-4-8-18-11-14(10-17-18)16(19)9-15-12(2)6-5-7-13(15)3/h5-7,10-11,16,19H,4,8-9H2,1-3H3
InChIKeyWKOKGZNZBJGCJP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.19
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol

2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 103572665) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID103572665
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2c(C)cccc2C)cn1
InChIInChI=1S/C16H22N2O/c1-4-8-18-11-14(10-17-18)16(19)9-15-12(2)6-5-7-13(15)3/h5-7,10-11,16,19H,4,8-9H2,1-3H3
InChIKeyWKOKGZNZBJGCJP-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572619
2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 65142294
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
2-(2-methyltetrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 107046537
3-(4-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 105080738
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695
2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol
CID 105120710
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol (CID 103572665) is 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)Cc2c(C)cccc2C)cn1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is WKOKGZNZBJGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-8-18-11-14(10-17-18)16(19)9-15-12(2)6-5-7-13(15)3/h5-7,10-11,16,19H,4,8-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103572665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).