5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide

C21H22N4O4 — CID 154055654

IUPAC5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccco3)cc2O)cc1C1CCC1
InChIInChI=1S/C21H22N4O4/c1-2-22-21(28)25-17(13-5-3-6-13)12-16(24-25)15-9-8-14(11-18(15)26)23-20(27)19-7-4-10-29-19/h4,7-13,26H,2-3,5-6H2,1H3,(H,22,28)(H,23,27)
InChIKeyUDKOOSHLIUAMIJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.95
Rot. Bonds5

About 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide

5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide (PubChem CID 154055654) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
PubChem CID154055654
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccco3)cc2O)cc1C1CCC1
InChIInChI=1S/C21H22N4O4/c1-2-22-21(28)25-17(13-5-3-6-13)12-16(24-25)15-9-8-14(11-18(15)26)23-20(27)19-7-4-10-29-19/h4,7-13,26H,2-3,5-6H2,1H3,(H,22,28)(H,23,27)
InChIKeyUDKOOSHLIUAMIJ-UHFFFAOYSA-N
XLogP3.95
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055634
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055663
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054623
5-cyclopropyl-N-ethyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 136636114
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055519
N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154055282
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055417
N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055598
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054301

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide (CID 154055654) is 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide is CCNC(=O)n1nc(-c2ccc(NC(=O)c3ccco3)cc2O)cc1C1CCC1.
What is the InChIKey of 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
The InChIKey is UDKOOSHLIUAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-2-22-21(28)25-17(13-5-3-6-13)12-16(24-25)15-9-8-14(11-18(15)26)23-20(27)19-7-4-10-29-19/h4,7-13,26H,2-3,5-6H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).