5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C22H18N4O4 — CID 1067711

IUPAC5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N4O4/c1-29-17-11-9-15(10-12-17)24-21(27)18-14-23-26(16-6-3-2-4-7-16)20(18)25-22(28)19-8-5-13-30-19/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyXCAXHLLWAVKFPK-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.98
Rot. Bonds6

About 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1067711) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1067711
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N4O4/c1-29-17-11-9-15(10-12-17)24-21(27)18-14-23-26(16-6-3-2-4-7-16)20(18)25-22(28)19-8-5-13-30-19/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyXCAXHLLWAVKFPK-UHFFFAOYSA-N
XLogP3.98
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1067711) is 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is XCAXHLLWAVKFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-29-17-11-9-15(10-12-17)24-21(27)18-14-23-26(16-6-3-2-4-7-16)20(18)25-22(28)19-8-5-13-30-19/h2-14H,1H3,(H,24,27)(H,25,28).
What are the key properties of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1067711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).