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

C15H18N2O — CID 65195148

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H18N2O/c1-17-8-7-14(16-17)15(18)10-11-5-6-12-3-2-4-13(12)9-11/h5-9,15,18H,2-4,10H2,1H3
InChIKeyCCGXLRGMZWDUFS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.18
Rot. Bonds3

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

2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol (PubChem CID 65195148) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
PubChem CID65195148
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H18N2O/c1-17-8-7-14(16-17)15(18)10-11-5-6-12-3-2-4-13(12)9-11/h5-9,15,18H,2-4,10H2,1H3
InChIKeyCCGXLRGMZWDUFS-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol
CID 103138401
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101681
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105101576
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
CID 103138544
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CID 115820450
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803551
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
cyclopentyl-(1-methylpyrazol-3-yl)methanol
CID 65195941
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115806384
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105152416

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol (CID 65195148) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(C(O)Cc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is CCGXLRGMZWDUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-8-7-14(16-17)15(18)10-11-5-6-12-3-2-4-13(12)9-11/h5-9,15,18H,2-4,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol?
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.18, 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-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 65195148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).