N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

C20H25N3O4 — CID 75234457

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccc(OC)c(OC)c3)NN2)cc1
InChIInChI=1S/C20H25N3O4/c1-25-15-7-5-14(6-8-15)16-11-17(23-22-16)20(24)21-12-13-4-9-18(26-2)19(10-13)27-3/h4-10,16-17,22-23H,11-12H2,1-3H3,(H,21,24)
InChIKeyNZRZATVJNTUXLU-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.94
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75234457) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75234457
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccc(OC)c(OC)c3)NN2)cc1
InChIInChI=1S/C20H25N3O4/c1-25-15-7-5-14(6-8-15)16-11-17(23-22-16)20(24)21-12-13-4-9-18(26-2)19(10-13)27-3/h4-10,16-17,22-23H,11-12H2,1-3H3,(H,21,24)
InChIKeyNZRZATVJNTUXLU-UHFFFAOYSA-N
XLogP1.94
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75255150
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75543348
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide (CID 75234457) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)NCc3ccc(OC)c(OC)c3)NN2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is NZRZATVJNTUXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-15-7-5-14(6-8-15)16-11-17(23-22-16)20(24)21-12-13-4-9-18(26-2)19(10-13)27-3/h4-10,16-17,22-23H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75234457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).