3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide

C17H18ClN3O — CID 73277699

IUPAC3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CNNC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O/c1-11-2-8-14(9-3-11)20-17(22)15-10-19-21-16(15)12-4-6-13(18)7-5-12/h2-9,15-16,19,21H,10H2,1H3,(H,20,22)
InChIKeyARPBJMAJXGJQOD-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.05
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide

3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide (PubChem CID 73277699) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
PubChem CID73277699
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CNNC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O/c1-11-2-8-14(9-3-11)20-17(22)15-10-19-21-16(15)12-4-6-13(18)7-5-12/h2-9,15-16,19,21H,10H2,1H3,(H,20,22)
InChIKeyARPBJMAJXGJQOD-UHFFFAOYSA-N
XLogP3.05
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
CID 75656770
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
CID 75158766
3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide
CID 73278654
2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873752
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 75209970
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
CID 74648336
3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide
CID 75625270
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
azepan-1-yl-[3-(4-chlorophenyl)pyrazolidin-4-yl]methanone
CID 134036153
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide (CID 73277699) is 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CNNC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide?
The InChIKey is ARPBJMAJXGJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-11-2-8-14(9-3-11)20-17(22)15-10-19-21-16(15)12-4-6-13(18)7-5-12/h2-9,15-16,19,21H,10H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide?
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.05, 3 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)pyrazolidine-4-carboxamide is sourced from PubChem (CID 73277699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).