1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole

C15H18N2O — CID 116793965

IUPAC1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
SMILESCn1cc(OCC2CCCc3ccccc32)cn1
InChIInChI=1S/C15H18N2O/c1-17-10-14(9-16-17)18-11-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8-10,13H,4,6-7,11H2,1H3
InChIKeyYKAXBHSIIJBFIN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds3

About 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole

1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole (PubChem CID 116793965) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
PubChem CID116793965
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
SMILESCn1cc(OCC2CCCc3ccccc32)cn1
InChIInChI=1S/C15H18N2O/c1-17-10-14(9-16-17)18-11-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8-10,13H,4,6-7,11H2,1H3
InChIKeyYKAXBHSIIJBFIN-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
CID 102724073
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66437326
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 111457992
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole (CID 116793965) is 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole is Cn1cc(OCC2CCCc3ccccc32)cn1.
What is the InChIKey of 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole?
The InChIKey is YKAXBHSIIJBFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-10-14(9-16-17)18-11-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8-10,13H,4,6-7,11H2,1H3.
What are the key properties of 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole?
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole has a molecular weight of 242.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole is sourced from PubChem (CID 116793965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).