1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole

C16H16N2O — CID 82087938

IUPAC1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
SMILESCc1cc(COc2cccc3ccccc23)nn1C
InChIInChI=1S/C16H16N2O/c1-12-10-14(17-18(12)2)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-10H,11H2,1-2H3
InChIKeyZBCKMLXFYFQRBO-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.46
Rot. Bonds3

About 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole

1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole (PubChem CID 82087938) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
PubChem CID82087938
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
SMILESCc1cc(COc2cccc3ccccc23)nn1C
InChIInChI=1S/C16H16N2O/c1-12-10-14(17-18(12)2)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-10H,11H2,1-2H3
InChIKeyZBCKMLXFYFQRBO-UHFFFAOYSA-N
XLogP3.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
CID 82304830
5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine
CID 134569016
4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole
CID 75393112
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220
3-benzyl-1,5-dimethylpyrazole
CID 13225476
3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole
CID 91645046
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone
CID 968994
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole?
The IUPAC name of 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole (CID 82087938) is 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole is Cc1cc(COc2cccc3ccccc23)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole?
The InChIKey is ZBCKMLXFYFQRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-10-14(17-18(12)2)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-10H,11H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole?
1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole has a molecular weight of 252.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole is sourced from PubChem (CID 82087938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).