5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide

C21H16N4O3 — CID 1067713

IUPAC5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C21H16N4O3/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h1-14H,(H,23,26)(H,24,27)
InChIKeyXKRKTLJQDUTYTH-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.97
Rot. Bonds5

About 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide

5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 1067713) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide
PubChem CID1067713
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C21H16N4O3/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h1-14H,(H,23,26)(H,24,27)
InChIKeyXKRKTLJQDUTYTH-UHFFFAOYSA-N
XLogP3.97
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.97
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)-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide (CID 1067713) is 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccco1.
What is the InChIKey of 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is XKRKTLJQDUTYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h1-14H,(H,23,26)(H,24,27).
What are the key properties of 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide?
5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 1067713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).