N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C23H28N4O4 — CID 42780912

IUPACN-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCc1c(CN(CCN2CCOCC2)C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H28N4O4/c1-18-20(22(28)27(24(18)2)19-7-4-3-5-8-19)17-26(23(29)21-9-6-14-31-21)11-10-25-12-15-30-16-13-25/h3-9,14H,10-13,15-17H2,1-2H3
InChIKeyKZCUOLWLWRBVAN-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.05
Rot. Bonds7

About N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 42780912) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID42780912
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCc1c(CN(CCN2CCOCC2)C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H28N4O4/c1-18-20(22(28)27(24(18)2)19-7-4-3-5-8-19)17-26(23(29)21-9-6-14-31-21)11-10-25-12-15-30-16-13-25/h3-9,14H,10-13,15-17H2,1-2H3
InChIKeyKZCUOLWLWRBVAN-UHFFFAOYSA-N
XLogP2.05
TPSA72.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42819426
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 3426119
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 5048178
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-morpholin-4-ylpropylamino)acetamide
CID 4636553
N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42779255
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
N-(furan-2-ylmethyl)-5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 70719747
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42772936
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 42773151
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
CID 11507500

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 42780912) is N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is Cc1c(CN(CCN2CCOCC2)C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is KZCUOLWLWRBVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-18-20(22(28)27(24(18)2)19-7-4-3-5-8-19)17-26(23(29)21-9-6-14-31-21)11-10-25-12-15-30-16-13-25/h3-9,14H,10-13,15-17H2,1-2H3.
What are the key properties of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 42780912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).