N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide

C17H17Cl2N3O2 — CID 75085710

IUPACN-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccc(Cl)cc3)NN2)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-24-16-7-6-12(8-13(16)19)20-17(23)15-9-14(21-22-15)10-2-4-11(18)5-3-10/h2-8,14-15,21-22H,9H2,1H3,(H,20,23)
InChIKeyKTABQBORJOXRCN-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.55
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide (PubChem CID 75085710) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
PubChem CID75085710
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccc(Cl)cc3)NN2)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-24-16-7-6-12(8-13(16)19)20-17(23)15-9-14(21-22-15)10-2-4-11(18)5-3-10/h2-8,14-15,21-22H,9H2,1H3,(H,20,23)
InChIKeyKTABQBORJOXRCN-UHFFFAOYSA-N
XLogP3.55
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543375
N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
CID 52987361
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975401
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
N-(3-chloro-4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263900
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
5-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)pyrazolidine-3-carboxamide
CID 75543396

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide (CID 75085710) is N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3ccc(Cl)cc3)NN2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is KTABQBORJOXRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-24-16-7-6-12(8-13(16)19)20-17(23)15-9-14(21-22-15)10-2-4-11(18)5-3-10/h2-8,14-15,21-22H,9H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75085710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).