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

C18H20ClN3O — CID 73277722

IUPAC3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CNNC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O/c1-12-2-4-13(5-3-12)10-20-18(23)16-11-21-22-17(16)14-6-8-15(19)9-7-14/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23)
InChIKeyKDPCGYOGSZZQSP-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.73
Rot. Bonds4

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

3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide (PubChem CID 73277722) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
PubChem CID73277722
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CNNC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O/c1-12-2-4-13(5-3-12)10-20-18(23)16-11-21-22-17(16)14-6-8-15(19)9-7-14/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23)
InChIKeyKDPCGYOGSZZQSP-UHFFFAOYSA-N
XLogP2.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
CID 75158766
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide
CID 78153825
3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
CID 52975448
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide
CID 134057576
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986667
(3S,4R)-N-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46215955
3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
CID 52976185
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 134059626

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide (CID 73277722) is 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide is Cc1ccc(CNC(=O)C2CNNC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is KDPCGYOGSZZQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12-2-4-13(5-3-12)10-20-18(23)16-11-21-22-17(16)14-6-8-15(19)9-7-14/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23).
What are the key properties of 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide?
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 73277722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).