5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide

C19H22ClN3O2 — CID 75255164

IUPAC5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CC(c3ccccc3Cl)NN2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-25-14-9-7-13(8-10-14)12-21-19(24)18-11-17(22-23-18)15-5-3-4-6-16(15)20/h3-10,17-18,22-23H,2,11-12H2,1H3,(H,21,24)
InChIKeyJPOWNXIJNYYWFS-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.96
Rot. Bonds6

About 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75255164) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID75255164
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CC(c3ccccc3Cl)NN2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-25-14-9-7-13(8-10-14)12-21-19(24)18-11-17(22-23-18)15-5-3-4-6-16(15)20/h3-10,17-18,22-23H,2,11-12H2,1H3,(H,21,24)
InChIKeyJPOWNXIJNYYWFS-UHFFFAOYSA-N
XLogP2.96
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
CID 52978511
5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255208
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide (CID 75255164) is 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide is CCOc1ccc(CNC(=O)C2CC(c3ccccc3Cl)NN2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is JPOWNXIJNYYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-2-25-14-9-7-13(8-10-14)12-21-19(24)18-11-17(22-23-18)15-5-3-4-6-16(15)20/h3-10,17-18,22-23H,2,11-12H2,1H3,(H,21,24).
What are the key properties of 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75255164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).