3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide

C19H22ClN3O — CID 75158766

IUPAC3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CNNC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O/c1-13-2-4-14(5-3-13)10-11-21-19(24)17-12-22-23-18(17)15-6-8-16(20)9-7-15/h2-9,17-18,22-23H,10-12H2,1H3,(H,21,24)
InChIKeyXNUWIBGKHPTFKB-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.77
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide

3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide (PubChem CID 75158766) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
PubChem CID75158766
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CNNC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O/c1-13-2-4-14(5-3-13)10-11-21-19(24)17-12-22-23-18(17)15-6-8-16(20)9-7-15/h2-9,17-18,22-23H,10-12H2,1H3,(H,21,24)
InChIKeyXNUWIBGKHPTFKB-UHFFFAOYSA-N
XLogP2.77
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide
CID 134057576
3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
CID 52976185
2-N-[2-(4-chlorophenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138633
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133673
3,4-bis[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961386
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
CID 146701430
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide (CID 75158766) is 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide is Cc1ccc(CCNC(=O)C2CNNC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide?
The InChIKey is XNUWIBGKHPTFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-13-2-4-14(5-3-13)10-11-21-19(24)17-12-22-23-18(17)15-6-8-16(20)9-7-15/h2-9,17-18,22-23H,10-12H2,1H3,(H,21,24).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide?
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 75158766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).