2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

C17H22N2O — CID 105101681

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H22N2O/c1-11-17(12(2)19(3)18-11)16(20)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,16,20H,4-6,10H2,1-3H3
InChIKeyDAXYZJFNQJKITM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.80
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105101681) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105101681
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H22N2O/c1-11-17(12(2)19(3)18-11)16(20)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,16,20H,4-6,10H2,1-3H3
InChIKeyDAXYZJFNQJKITM-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105152416
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101093
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 65195148
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105101576
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105083651
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105126285
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105101681) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1C(O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is DAXYZJFNQJKITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-17(12(2)19(3)18-11)16(20)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,16,20H,4-6,10H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 270.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105101681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).