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

C24H27N3O3 — CID 75255278

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CC(c3cccc4ccccc34)NN2)ccc1OC
InChIInChI=1S/C24H27N3O3/c1-3-30-23-13-16(11-12-22(23)29-2)15-25-24(28)21-14-20(26-27-21)19-10-6-8-17-7-4-5-9-18(17)19/h4-13,20-21,26-27H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyFPXYLTJKCQTPAG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.47
Rot. Bonds7

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

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75255278) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75255278
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CC(c3cccc4ccccc34)NN2)ccc1OC
InChIInChI=1S/C24H27N3O3/c1-3-30-23-13-16(11-12-22(23)29-2)15-25-24(28)21-14-20(26-27-21)19-10-6-8-17-7-4-5-9-18(17)19/h4-13,20-21,26-27H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyFPXYLTJKCQTPAG-UHFFFAOYSA-N
XLogP3.47
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605911
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75255278) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is CCOc1cc(CNC(=O)C2CC(c3cccc4ccccc34)NN2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is FPXYLTJKCQTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-30-23-13-16(11-12-22(23)29-2)15-25-24(28)21-14-20(26-27-21)19-10-6-8-17-7-4-5-9-18(17)19/h4-13,20-21,26-27H,3,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75255278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).