3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide

C17H17N3O2 — CID 12848006

IUPAC3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide
SMILESCCOc1cc(C)n(C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3O2/c1-3-22-16-11-12(2)20(19-16)17(21)18-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyZEGZQNHQNNFQQI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.82
Rot. Bonds3

About 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide

3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide (PubChem CID 12848006) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide
PubChem CID12848006
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide
SMILESCCOc1cc(C)n(C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3O2/c1-3-22-16-11-12(2)20(19-16)17(21)18-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyZEGZQNHQNNFQQI-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1219508
ethyl 3-[2-(naphthalen-1-ylcarbamoyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3687369
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
N-(3-ethoxyisoquinolin-1-yl)acetamide
CID 119092888
ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate
CID 54519330
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide
CID 134115980
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7940407
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 4821778

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide?
The IUPAC name of 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide (CID 12848006) is 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide is CCOc1cc(C)n(C(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide?
The InChIKey is ZEGZQNHQNNFQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-22-16-11-12(2)20(19-16)17(21)18-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H,18,21).
What are the key properties of 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide?
3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide is sourced from PubChem (CID 12848006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).