N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide

C22H23N3O3 — CID 75605721

IUPACN-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(c3cccc4ccccc34)NN2)cc(OC)c1
InChIInChI=1S/C22H23N3O3/c1-27-16-10-15(11-17(12-16)28-2)23-22(26)21-13-20(24-25-21)19-9-5-7-14-6-3-4-8-18(14)19/h3-12,20-21,24-25H,13H2,1-2H3,(H,23,26)
InChIKeyUGKWQTUKLXUXBC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.40
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide

N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75605721) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75605721
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(c3cccc4ccccc34)NN2)cc(OC)c1
InChIInChI=1S/C22H23N3O3/c1-27-16-10-15(11-17(12-16)28-2)23-22(26)21-13-20(24-25-21)19-9-5-7-14-6-3-4-8-18(14)19/h3-12,20-21,24-25H,13H2,1-2H3,(H,23,26)
InChIKeyUGKWQTUKLXUXBC-UHFFFAOYSA-N
XLogP3.40
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605776
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
N-(2-fluoro-4-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605768
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75605721) is N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is COc1cc(NC(=O)C2CC(c3cccc4ccccc34)NN2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is UGKWQTUKLXUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-16-10-15(11-17(12-16)28-2)23-22(26)21-13-20(24-25-21)19-9-5-7-14-6-3-4-8-18(14)19/h3-12,20-21,24-25H,13H2,1-2H3,(H,23,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75605721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).