N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

C23H25N3O — CID 75605901

IUPACN-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CC(c3cccc4ccccc34)NN2)cc1
InChIInChI=1S/C23H25N3O/c1-2-16-10-12-17(13-11-16)15-24-23(27)22-14-21(25-26-22)20-9-5-7-18-6-3-4-8-19(18)20/h3-13,21-22,25-26H,2,14-15H2,1H3,(H,24,27)
InChIKeyYSJSROYJJSXHDL-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.63
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75605901) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75605901
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CC(c3cccc4ccccc34)NN2)cc1
InChIInChI=1S/C23H25N3O/c1-2-16-10-12-17(13-11-16)15-24-23(27)22-14-21(25-26-22)20-9-5-7-18-6-3-4-8-19(18)20/h3-13,21-22,25-26H,2,14-15H2,1H3,(H,24,27)
InChIKeyYSJSROYJJSXHDL-UHFFFAOYSA-N
XLogP3.63
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605911
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-(2-fluoro-4-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605768
N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605776

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75605901) is N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is CCc1ccc(CNC(=O)C2CC(c3cccc4ccccc34)NN2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is YSJSROYJJSXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-16-10-12-17(13-11-16)15-24-23(27)22-14-21(25-26-22)20-9-5-7-18-6-3-4-8-19(18)20/h3-13,21-22,25-26H,2,14-15H2,1H3,(H,24,27).
What are the key properties of N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75605901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).