5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide

C21H27N3O2 — CID 75234244

IUPAC5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3c(C)cc(C)cc3C)NN2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-26-17-8-6-16(7-9-17)18-12-19(24-23-18)21(25)22-20-14(3)10-13(2)11-15(20)4/h6-11,18-19,23-24H,5,12H2,1-4H3,(H,22,25)
InChIKeyXNDUJMKDKSHIBE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.56
Rot. Bonds5

About 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide

5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75234244) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
PubChem CID75234244
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3c(C)cc(C)cc3C)NN2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-26-17-8-6-16(7-9-17)18-12-19(24-23-18)21(25)22-20-14(3)10-13(2)11-15(20)4/h6-11,18-19,23-24H,5,12H2,1-4H3,(H,22,25)
InChIKeyXNDUJMKDKSHIBE-UHFFFAOYSA-N
XLogP3.56
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75234280
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255208
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide (CID 75234244) is 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)Nc3c(C)cc(C)cc3C)NN2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is XNDUJMKDKSHIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-26-17-8-6-16(7-9-17)18-12-19(24-23-18)21(25)22-20-14(3)10-13(2)11-15(20)4/h6-11,18-19,23-24H,5,12H2,1-4H3,(H,22,25).
What are the key properties of 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide?
5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75234244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).