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

C22H21N3O3 — CID 75605911

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C22H21N3O3/c26-22(23-12-14-8-9-20-21(10-14)28-13-27-20)19-11-18(24-25-19)17-7-3-5-15-4-1-2-6-16(15)17/h1-10,18-19,24-25H,11-13H2,(H,23,26)
InChIKeyVMWDLGHRJQCORR-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.79
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75605911) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75605911
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C22H21N3O3/c26-22(23-12-14-8-9-20-21(10-14)28-13-27-20)19-11-18(24-25-19)17-7-3-5-15-4-1-2-6-16(15)17/h1-10,18-19,24-25H,11-13H2,(H,23,26)
InChIKeyVMWDLGHRJQCORR-UHFFFAOYSA-N
XLogP2.79
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
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-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
CID 78081006
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154923238
5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide
CID 75118909
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide
CID 134019435
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 2862795
N-(1,3-benzodioxol-5-ylmethyl)-6-oxodiazinane-3-carboxamide
CID 78211627

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75605911) is N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CC(c2cccc3ccccc23)NN1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is VMWDLGHRJQCORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(23-12-14-8-9-20-21(10-14)28-13-27-20)19-11-18(24-25-19)17-7-3-5-15-4-1-2-6-16(15)17/h1-10,18-19,24-25H,11-13H2,(H,23,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.79, 4 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-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75605911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).