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

C22H29N3O5 — CID 75254984

IUPACN-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CC(c3ccc(OC)cc3OC)NN2)c1
InChIInChI=1S/C22H29N3O5/c1-5-29-15-8-10-20(30-6-2)18(11-15)23-22(26)19-13-17(24-25-19)16-9-7-14(27-3)12-21(16)28-4/h7-12,17,19,24-25H,5-6,13H2,1-4H3,(H,23,26)
InChIKeyCXQYGHUYLIPNOL-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.05
Rot. Bonds9

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

N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75254984) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75254984
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CC(c3ccc(OC)cc3OC)NN2)c1
InChIInChI=1S/C22H29N3O5/c1-5-29-15-8-10-20(30-6-2)18(11-15)23-22(26)19-13-17(24-25-19)16-9-7-14(27-3)12-21(16)28-4/h7-12,17,19,24-25H,5-6,13H2,1-4H3,(H,23,26)
InChIKeyCXQYGHUYLIPNOL-UHFFFAOYSA-N
XLogP3.05
TPSA90.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
N-(2,5-difluorophenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255014
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
CID 123714290
5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75283576
N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557865
5-(2,4-dimethoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolidine-3-carboxamide
CID 75283715
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide (CID 75254984) is N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CC(c3ccc(OC)cc3OC)NN2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is CXQYGHUYLIPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-5-29-15-8-10-20(30-6-2)18(11-15)23-22(26)19-13-17(24-25-19)16-9-7-14(27-3)12-21(16)28-4/h7-12,17,19,24-25H,5-6,13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide?
N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).