N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide

C18H19N3O3 — CID 75396623

IUPACN-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)CC2=NN(C)C(=O)C2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-5-7-15(8-6-13)21(12-16-4-3-9-24-16)18(23)11-14-10-17(22)20(2)19-14/h3-9H,10-12H2,1-2H3
InChIKeyBYRYTBBBWJZZFU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.73
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide

N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 75396623) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide
PubChem CID75396623
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)CC2=NN(C)C(=O)C2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-5-7-15(8-6-13)21(12-16-4-3-9-24-16)18(23)11-14-10-17(22)20(2)19-14/h3-9H,10-12H2,1-2H3
InChIKeyBYRYTBBBWJZZFU-UHFFFAOYSA-N
XLogP2.73
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 55455752
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-(furan-2-ylmethyl)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 18192896
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 31963957
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30970827
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 43027899
3-acetamido-N-(furan-2-ylmethyl)-N,3-bis(4-methylphenyl)propanamide
CID 43040064
2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 30670484

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide (CID 75396623) is N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(N(Cc2ccco2)C(=O)CC2=NN(C)C(=O)C2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is BYRYTBBBWJZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-5-7-15(8-6-13)21(12-16-4-3-9-24-16)18(23)11-14-10-17(22)20(2)19-14/h3-9H,10-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide?
N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 75396623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).