1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide

C23H21ClN6O4 — CID 55963403

IUPAC1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H21ClN6O4/c24-19-4-2-1-3-15(19)13-29-14-16(11-26-29)22(33)28-18-7-5-17(6-8-18)27-20(31)9-10-30-21(32)12-25-23(30)34/h1-8,11,14H,9-10,12-13H2,(H,25,34)(H,27,31)(H,28,33)
InChIKeyDRGFXZHCBPXYLX-UHFFFAOYSA-N
MW480.91 g/mol
LogP2.72
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide (PubChem CID 55963403) has the molecular formula C23H21ClN6O4 and a molecular weight of 480.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
PubChem CID55963403
Molecular FormulaC23H21ClN6O4
Molecular Weight480.91 g/mol
Exact Mass480.13
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H21ClN6O4/c24-19-4-2-1-3-15(19)13-29-14-16(11-26-29)22(33)28-18-7-5-17(6-8-18)27-20(31)9-10-30-21(32)12-25-23(30)34/h1-8,11,14H,9-10,12-13H2,(H,25,34)(H,27,31)(H,28,33)
InChIKeyDRGFXZHCBPXYLX-UHFFFAOYSA-N
XLogP2.72
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718
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CID 110882308
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide (CID 55963403) is 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide is O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide?
The InChIKey is DRGFXZHCBPXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O4/c24-19-4-2-1-3-15(19)13-29-14-16(11-26-29)22(33)28-18-7-5-17(6-8-18)27-20(31)9-10-30-21(32)12-25-23(30)34/h1-8,11,14H,9-10,12-13H2,(H,25,34)(H,27,31)(H,28,33).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide has a molecular weight of 480.91 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55963403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).