1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

C18H24N2O — CID 114557066

IUPAC1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESCCCn1nccc1C(O)CC1CCCc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-12-20-17(10-11-19-20)18(21)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9-11,15,18,21H,2,5,7-8,12-13H2,1H3
InChIKeyDFGHQWIVTARUTD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (PubChem CID 114557066) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
PubChem CID114557066
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESCCCn1nccc1C(O)CC1CCCc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-12-20-17(10-11-19-20)18(21)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9-11,15,18,21H,2,5,7-8,12-13H2,1H3
InChIKeyDFGHQWIVTARUTD-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109
1-(3-methyl-2-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773352
N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114554855
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 105081457
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773172
1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
1,1-diethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 79495849
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol
CID 115798870

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The IUPAC name of 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (CID 114557066) is 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is CCCn1nccc1C(O)CC1CCCc2ccccc21.
What is the InChIKey of 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The InChIKey is DFGHQWIVTARUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-12-20-17(10-11-19-20)18(21)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9-11,15,18,21H,2,5,7-8,12-13H2,1H3.
What are the key properties of 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol has a molecular weight of 284.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 114557066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).