N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide

C19H20ClN3O3 — CID 52990222

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-23(10-12-2-7-16-17(8-12)26-11-25-16)19(24)15-9-21-22-18(15)13-3-5-14(20)6-4-13/h2-8,15,18,21-22H,9-11H2,1H3
InChIKeyKQTALGGLRRPVLF-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.49
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide (PubChem CID 52990222) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide
PubChem CID52990222
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-23(10-12-2-7-16-17(8-12)26-11-25-16)19(24)15-9-21-22-18(15)13-3-5-14(20)6-4-13/h2-8,15,18,21-22H,9-11H2,1H3
InChIKeyKQTALGGLRRPVLF-UHFFFAOYSA-N
XLogP2.49
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3-phenylpyrazolidine-4-carboxamide
CID 134057083
3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134037133
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
1-[1,3-benzodioxol-5-ylmethyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]propan-2-ol
CID 73305897
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63714960
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 39952466
3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 31988959
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 27863700
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
CID 51190259

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide (CID 52990222) is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)C1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide?
The InChIKey is KQTALGGLRRPVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-23(10-12-2-7-16-17(8-12)26-11-25-16)19(24)15-9-21-22-18(15)13-3-5-14(20)6-4-13/h2-8,15,18,21-22H,9-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 52990222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).