N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide

C10H10ClN3O2 — CID 1482224

IUPACN-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2cccc(Cl)c2)N1
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(6-7)12-10(16)14-5-4-9(15)13-14/h1-3,6H,4-5H2,(H,12,16)(H,13,15)
InChIKeyPETORTGCTZNZDI-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.61
Rot. Bonds1

About N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide

N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide (PubChem CID 1482224) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide
PubChem CID1482224
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC NameN-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2cccc(Cl)c2)N1
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(6-7)12-10(16)14-5-4-9(15)13-14/h1-3,6H,4-5H2,(H,12,16)(H,13,15)
InChIKeyPETORTGCTZNZDI-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide (CID 1482224) is N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide is O=C1CCN(C(=O)Nc2cccc(Cl)c2)N1.
What is the InChIKey of N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide?
The InChIKey is PETORTGCTZNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(6-7)12-10(16)14-5-4-9(15)13-14/h1-3,6H,4-5H2,(H,12,16)(H,13,15).
What are the key properties of N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide?
N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide has a molecular weight of 239.66 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-oxopyrazolidine-1-carboxamide is sourced from PubChem (CID 1482224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).