N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide

C19H23N3O3 — CID 75283665

IUPACN-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3)NN2)c(OC)c1
InChIInChI=1S/C19H23N3O3/c1-24-14-8-9-15(18(10-14)25-2)16-11-17(22-21-16)19(23)20-12-13-6-4-3-5-7-13/h3-10,16-17,21-22H,11-12H2,1-2H3,(H,20,23)
InChIKeyPWABRTRVFARXJW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.93
Rot. Bonds6

About N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide

N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75283665) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75283665
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3)NN2)c(OC)c1
InChIInChI=1S/C19H23N3O3/c1-24-14-8-9-15(18(10-14)25-2)16-11-17(22-21-16)19(23)20-12-13-6-4-3-5-7-13/h3-10,16-17,21-22H,11-12H2,1-2H3,(H,20,23)
InChIKeyPWABRTRVFARXJW-UHFFFAOYSA-N
XLogP1.93
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolidine-3-carboxamide
CID 75283715
5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254984
2-N-benzyl-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109135078
N-(2,5-difluorophenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255014
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835
1-benzoyl-N-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681657
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide (CID 75283665) is N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)NCc3ccccc3)NN2)c(OC)c1.
What is the InChIKey of N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is PWABRTRVFARXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-14-8-9-15(18(10-14)25-2)16-11-17(22-21-16)19(23)20-12-13-6-4-3-5-7-13/h3-10,16-17,21-22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75283665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).