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

C25H24N4O3 — CID 52669106

IUPACN-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H24N4O3/c1-18-22(13-14-32-18)25(31)26-15-23(30)28(2)16-20-17-29(21-11-7-4-8-12-21)27-24(20)19-9-5-3-6-10-19/h3-14,17H,15-16H2,1-2H3,(H,26,31)
InChIKeyJLSYABMNZOKJJQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.83
Rot. Bonds7

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

N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 52669106) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID52669106
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H24N4O3/c1-18-22(13-14-32-18)25(31)26-15-23(30)28(2)16-20-17-29(21-11-7-4-8-12-21)27-24(20)19-9-5-3-6-10-19/h3-14,17H,15-16H2,1-2H3,(H,26,31)
InChIKeyJLSYABMNZOKJJQ-UHFFFAOYSA-N
XLogP3.83
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-2-oxoethyl]benzamide
CID 24547321
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55363692
(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]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55996599
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17457554
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 52669106) is N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is JLSYABMNZOKJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-18-22(13-14-32-18)25(31)26-15-23(30)28(2)16-20-17-29(21-11-7-4-8-12-21)27-24(20)19-9-5-3-6-10-19/h3-14,17H,15-16H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 52669106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).