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

C22H18N4O3 — CID 653788

IUPAC5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N4O3/c1-15-9-11-16(12-10-15)24-21(27)18-14-23-26(17-6-3-2-4-7-17)20(18)25-22(28)19-8-5-13-29-19/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyIYXAGHBWGSSCJW-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.28
Rot. Bonds5

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

5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 653788) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID653788
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N4O3/c1-15-9-11-16(12-10-15)24-21(27)18-14-23-26(17-6-3-2-4-7-17)20(18)25-22(28)19-8-5-13-29-19/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyIYXAGHBWGSSCJW-UHFFFAOYSA-N
XLogP4.28
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.28
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-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 653788) is 5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is IYXAGHBWGSSCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-15-9-11-16(12-10-15)24-21(27)18-14-23-26(17-6-3-2-4-7-17)20(18)25-22(28)19-8-5-13-29-19/h2-14H,1H3,(H,24,27)(H,25,28).
What are the key properties of 5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
5-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.28, 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-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 653788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).