N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide

C18H21N3O3 — CID 74523011

IUPACN-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)NN2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-13-8-9-14(17(10-13)24-2)19-18(22)16-11-15(20-21-16)12-6-4-3-5-7-12/h3-10,15-16,20-21H,11H2,1-2H3,(H,19,22)
InChIKeyAAFOLDCZKQHDRM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.25
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 74523011) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID74523011
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)NN2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-13-8-9-14(17(10-13)24-2)19-18(22)16-11-15(20-21-16)12-6-4-3-5-7-12/h3-10,15-16,20-21H,11H2,1-2H3,(H,19,22)
InChIKeyAAFOLDCZKQHDRM-UHFFFAOYSA-N
XLogP2.25
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
N-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234366
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
N-(2,5-difluorophenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255014
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 110860613
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975401
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75254957

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide (CID 74523011) is N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3ccccc3)NN2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is AAFOLDCZKQHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-13-8-9-14(17(10-13)24-2)19-18(22)16-11-15(20-21-16)12-6-4-3-5-7-12/h3-10,15-16,20-21H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 74523011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).