N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide

C21H19N3O3 — CID 75605728

IUPACN-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H19N3O3/c25-21(22-14-8-9-19-20(10-14)27-12-26-19)18-11-17(23-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-10,17-18,23-24H,11-12H2,(H,22,25)
InChIKeyBCYWBVWAHCJLAH-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.11
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75605728) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75605728
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H19N3O3/c25-21(22-14-8-9-19-20(10-14)27-12-26-19)18-11-17(23-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-10,17-18,23-24H,11-12H2,(H,22,25)
InChIKeyBCYWBVWAHCJLAH-UHFFFAOYSA-N
XLogP3.11
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.11
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
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-3-carboxamide
CID 52978372
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(2-fluoro-4-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605768
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75605728) is N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CC(c2cccc3ccccc23)NN1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is BCYWBVWAHCJLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-21(22-14-8-9-19-20(10-14)27-12-26-19)18-11-17(23-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-10,17-18,23-24H,11-12H2,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75605728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).