5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

C24H22N4O3 — CID 1067709

IUPAC5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H22N4O3/c1-16(2)17-10-12-18(13-11-17)26-23(29)20-15-25-28(19-7-4-3-5-8-19)22(20)27-24(30)21-9-6-14-31-21/h3-16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyAFLCDAMJALWUAC-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.09
Rot. Bonds6

About 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (PubChem CID 1067709) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
PubChem CID1067709
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H22N4O3/c1-16(2)17-10-12-18(13-11-17)26-23(29)20-15-25-28(19-7-4-3-5-8-19)22(20)27-24(30)21-9-6-14-31-21/h3-16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyAFLCDAMJALWUAC-UHFFFAOYSA-N
XLogP5.09
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (CID 1067709) is 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is AFLCDAMJALWUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16(2)17-10-12-18(13-11-17)26-23(29)20-15-25-28(19-7-4-3-5-8-19)22(20)27-24(30)21-9-6-14-31-21/h3-16H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 1067709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).