5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide

C20H24ClN3O — CID 75255190

IUPAC5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C20H24ClN3O/c1-14(11-12-15-7-3-2-4-8-15)22-20(25)19-13-18(23-24-19)16-9-5-6-10-17(16)21/h2-10,14,18-19,23-24H,11-13H2,1H3,(H,22,25)
InChIKeySKFHKGHNIYSZIY-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.39
Rot. Bonds6

About 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide (PubChem CID 75255190) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
PubChem CID75255190
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C20H24ClN3O/c1-14(11-12-15-7-3-2-4-8-15)22-20(25)19-13-18(23-24-19)16-9-5-6-10-17(16)21/h2-10,14,18-19,23-24H,11-13H2,1H3,(H,22,25)
InChIKeySKFHKGHNIYSZIY-UHFFFAOYSA-N
XLogP3.39
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
CID 52978511
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
CID 75254788
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 71785218
5-(2-chlorophenyl)-N-(2,4-dimethylphenyl)pyrazolidine-3-carboxamide
CID 75254752

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide (CID 75255190) is 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide is CC(CCc1ccccc1)NC(=O)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide?
The InChIKey is SKFHKGHNIYSZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-14(11-12-15-7-3-2-4-8-15)22-20(25)19-13-18(23-24-19)16-9-5-6-10-17(16)21/h2-10,14,18-19,23-24H,11-13H2,1H3,(H,22,25).
What are the key properties of 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75255190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).