N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide

C18H20ClN3O — CID 75605889

IUPACN-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)NCc3ccc(Cl)cc3)NN2)cc1
InChIInChI=1S/C18H20ClN3O/c1-12-2-6-14(7-3-12)16-10-17(22-21-16)18(23)20-11-13-4-8-15(19)9-5-13/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23)
InChIKeySPYFQKWDPGTVKJ-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.87
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75605889) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
PubChem CID75605889
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)NCc3ccc(Cl)cc3)NN2)cc1
InChIInChI=1S/C18H20ClN3O/c1-12-2-6-14(7-3-12)16-10-17(22-21-16)18(23)20-11-13-4-8-15(19)9-5-13/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23)
InChIKeySPYFQKWDPGTVKJ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75255150
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
5-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255220
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
CID 71651121
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide
CID 75085839
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide (CID 75605889) is N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide is Cc1ccc(C2CC(C(=O)NCc3ccc(Cl)cc3)NN2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is SPYFQKWDPGTVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12-2-6-14(7-3-12)16-10-17(22-21-16)18(23)20-11-13-4-8-15(19)9-5-13/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75605889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).