1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol

C18H24N2O — CID 63771143

IUPAC1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CC2CCCc3ccccc32)c(C)c1C(C)O
InChIInChI=1S/C18H24N2O/c1-12-18(14(3)21)13(2)20(19-12)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-5,7,10,14,16,21H,6,8-9,11H2,1-3H3
InChIKeyLWITZHUYWGBBGP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.67
Rot. Bonds3

About 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol

1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol (PubChem CID 63771143) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol
PubChem CID63771143
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CC2CCCc3ccccc32)c(C)c1C(C)O
InChIInChI=1S/C18H24N2O/c1-12-18(14(3)21)13(2)20(19-12)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-5,7,10,14,16,21H,6,8-9,11H2,1-3H3
InChIKeyLWITZHUYWGBBGP-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-chloroethyl)-3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole
CID 63771481
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105107040
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
CID 116788347
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 107192023
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108436
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol (CID 63771143) is 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol is Cc1nn(CC2CCCc3ccccc32)c(C)c1C(C)O.
What is the InChIKey of 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol?
The InChIKey is LWITZHUYWGBBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-18(14(3)21)13(2)20(19-12)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-5,7,10,14,16,21H,6,8-9,11H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol?
1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol has a molecular weight of 284.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 63771143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).