1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide

C25H19Cl2N5O2 — CID 177381794

IUPAC1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C25H19Cl2N5O2/c26-18-5-2-8-21(11-18)31-15-23(25(34)32(31)22-9-3-6-19(27)12-22)24(33)30-20-7-1-4-16(10-20)17-13-28-29-14-17/h1-14,23H,15H2,(H,28,29)(H,30,33)
InChIKeyRQMPOPBIQZOZBC-UHFFFAOYSA-N
MW492.37 g/mol
LogP5.41
Rot. Bonds5

About 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide

1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide (PubChem CID 177381794) has the molecular formula C25H19Cl2N5O2 and a molecular weight of 492.37 g/mol. Its IUPAC name is 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide
PubChem CID177381794
Molecular FormulaC25H19Cl2N5O2
Molecular Weight492.37 g/mol
Exact Mass491.09
IUPAC Name1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C25H19Cl2N5O2/c26-18-5-2-8-21(11-18)31-15-23(25(34)32(31)22-9-3-6-19(27)12-22)24(33)30-20-7-1-4-16(10-20)17-13-28-29-14-17/h1-14,23H,15H2,(H,28,29)(H,30,33)
InChIKeyRQMPOPBIQZOZBC-UHFFFAOYSA-N
XLogP5.41
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.37
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
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CID 155806395
2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline
CID 166596676
8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
CID 86650444
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CID 175979811
(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 125488196
1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 119438316
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 7733866
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
4-[3-(sulfinatoamino)phenyl]-1H-pyrazole
CID 167366018
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide?
The IUPAC name of 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide (CID 177381794) is 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide is O=C(Nc1cccc(-c2cn[nH]c2)c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide?
The InChIKey is RQMPOPBIQZOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O2/c26-18-5-2-8-21(11-18)31-15-23(25(34)32(31)22-9-3-6-19(27)12-22)24(33)30-20-7-1-4-16(10-20)17-13-28-29-14-17/h1-14,23H,15H2,(H,28,29)(H,30,33).
What are the key properties of 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide?
1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide has a molecular weight of 492.37 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 177381794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).