1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol

C15H26N2O — CID 83090014

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol
SMILESCn1cc(C(O)CC2CCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)9-11-7-5-6-8-11/h10-11,13,18H,5-9H2,1-4H3
InChIKeyOSDULGFVLOXNGP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.33
Rot. Bonds3

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol

1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol (PubChem CID 83090014) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol
PubChem CID83090014
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol
SMILESCn1cc(C(O)CC2CCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)9-11-7-5-6-8-11/h10-11,13,18H,5-9H2,1-4H3
InChIKeyOSDULGFVLOXNGP-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83090215
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile
CID 83089524
cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
CID 83090918
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile
CID 83089771
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,4-dichlorophenyl)ethanol
CID 83090725
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 83091460
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 83091915
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-chlorophenyl)ethanol
CID 83091470
2-(4-bromothiophen-2-yl)-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethanol
CID 83091781
(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol
CID 106651526

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol (CID 83090014) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol is Cn1cc(C(O)CC2CCCC2)c(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol?
The InChIKey is OSDULGFVLOXNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)9-11-7-5-6-8-11/h10-11,13,18H,5-9H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol has a molecular weight of 250.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol is sourced from PubChem (CID 83090014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).