3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide

C21H23ClN4O — CID 52976185

IUPAC3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O/c22-17-8-6-16(7-9-17)20-18(14-24-25-20)21(27)23-11-3-12-26-13-10-15-4-1-2-5-19(15)26/h1-2,4-10,13,18,20,24-25H,3,11-12,14H2,(H,23,27)
InChIKeyUIWHKYQSALHRMV-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.27
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide

3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide (PubChem CID 52976185) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
PubChem CID52976185
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O/c22-17-8-6-16(7-9-17)20-18(14-24-25-20)21(27)23-11-3-12-26-13-10-15-4-1-2-5-19(15)26/h1-2,4-10,13,18,20,24-25H,3,11-12,14H2,(H,23,27)
InChIKeyUIWHKYQSALHRMV-UHFFFAOYSA-N
XLogP3.27
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide
CID 134057576
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
CID 75158766
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
CID 108750586
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide (CID 52976185) is 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide is O=C(NCCCn1ccc2ccccc21)C1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide?
The InChIKey is UIWHKYQSALHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-17-8-6-16(7-9-17)20-18(14-24-25-20)21(27)23-11-3-12-26-13-10-15-4-1-2-5-19(15)26/h1-2,4-10,13,18,20,24-25H,3,11-12,14H2,(H,23,27).
What are the key properties of 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide?
3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 52976185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).