N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide

C17H17ClN4O2 — CID 75254869

IUPACN-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CC(c3cccc(Cl)c3)NN2)c1
InChIInChI=1S/C17H17ClN4O2/c18-12-5-1-3-10(7-12)14-9-15(22-21-14)17(24)20-13-6-2-4-11(8-13)16(19)23/h1-8,14-15,21-22H,9H2,(H2,19,23)(H,20,24)
InChIKeyLUAMZPKJILTEKU-UHFFFAOYSA-N
MW344.80 g/mol
LogP1.99
Rot. Bonds4

About N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide

N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide (PubChem CID 75254869) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
PubChem CID75254869
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CC(c3cccc(Cl)c3)NN2)c1
InChIInChI=1S/C17H17ClN4O2/c18-12-5-1-3-10(7-12)14-9-15(22-21-14)17(24)20-13-6-2-4-11(8-13)16(19)23/h1-8,14-15,21-22H,9H2,(H2,19,23)(H,20,24)
InChIKeyLUAMZPKJILTEKU-UHFFFAOYSA-N
XLogP1.99
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254901
dimethyl 5-[[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 75254878
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 52989249
N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254865
5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254921
5-(3-chlorophenyl)-N-(3-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254935
5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide (CID 75254869) is N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide is NC(=O)c1cccc(NC(=O)C2CC(c3cccc(Cl)c3)NN2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is LUAMZPKJILTEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-12-5-1-3-10(7-12)14-9-15(22-21-14)17(24)20-13-6-2-4-11(8-13)16(19)23/h1-8,14-15,21-22H,9H2,(H2,19,23)(H,20,24).
What are the key properties of N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).