N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C27H28N4O3 — CID 55363692

IUPACN-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H28N4O3/c1-19(2)24(28-26(32)23-15-10-16-34-23)27(33)30(3)17-21-18-31(22-13-8-5-9-14-22)29-25(21)20-11-6-4-7-12-20/h4-16,18-19,24H,17H2,1-3H3,(H,28,32)
InChIKeyPDRHOMRYLJTLIA-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.55
Rot. Bonds8

About N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 55363692) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID55363692
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H28N4O3/c1-19(2)24(28-26(32)23-15-10-16-34-23)27(33)30(3)17-21-18-31(22-13-8-5-9-14-22)29-25(21)20-11-6-4-7-12-20/h4-16,18-19,24H,17H2,1-3H3,(H,28,32)
InChIKeyPDRHOMRYLJTLIA-UHFFFAOYSA-N
XLogP4.55
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 9140775
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048588
N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 52669106
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
N-[(2S)-1-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 34746254
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 4878873
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[(2S)-1-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 31340703
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 9481788

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 55363692) is N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is PDRHOMRYLJTLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-19(2)24(28-26(32)23-15-10-16-34-23)27(33)30(3)17-21-18-31(22-13-8-5-9-14-22)29-25(21)20-11-6-4-7-12-20/h4-16,18-19,24H,17H2,1-3H3,(H,28,32).
What are the key properties of N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55363692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).