5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide

C20H21ClN4O — CID 75085839

IUPAC5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C20H21ClN4O/c21-15-7-5-13(6-8-15)18-11-19(25-24-18)20(26)22-10-9-14-12-23-17-4-2-1-3-16(14)17/h1-8,12,18-19,23-25H,9-11H2,(H,22,26)
InChIKeyWJEIDWMMDANPEB-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.09
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide

5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide (PubChem CID 75085839) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide
PubChem CID75085839
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C20H21ClN4O/c21-15-7-5-13(6-8-15)18-11-19(25-24-18)20(26)22-10-9-14-12-23-17-4-2-1-3-16(14)17/h1-8,12,18-19,23-25H,9-11H2,(H,22,26)
InChIKeyWJEIDWMMDANPEB-UHFFFAOYSA-N
XLogP3.09
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119674415
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75255150
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide (CID 75085839) is 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CC(c2ccc(Cl)cc2)NN1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide?
The InChIKey is WJEIDWMMDANPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-15-7-5-13(6-8-15)18-11-19(25-24-18)20(26)22-10-9-14-12-23-17-4-2-1-3-16(14)17/h1-8,12,18-19,23-25H,9-11H2,(H,22,26).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 3.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75085839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).