4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide

C19H21N3O2 — CID 44762282

IUPAC4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
SMILESCCc1c(C)nn(-c2ccc(C(=O)NCc3ccco3)cc2)c1C
InChIInChI=1S/C19H21N3O2/c1-4-18-13(2)21-22(14(18)3)16-9-7-15(8-10-16)19(23)20-12-17-6-5-11-24-17/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyYVQGQOWMFWPARP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.57
Rot. Bonds5

About 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 44762282) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
PubChem CID44762282
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
SMILESCCc1c(C)nn(-c2ccc(C(=O)NCc3ccco3)cc2)c1C
InChIInChI=1S/C19H21N3O2/c1-4-18-13(2)21-22(14(18)3)16-9-7-15(8-10-16)19(23)20-12-17-6-5-11-24-17/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyYVQGQOWMFWPARP-UHFFFAOYSA-N
XLogP3.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
CID 53370069
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 46334859
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110938546
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 134034036
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
3-[1-[4-(ethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 119181040

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide (CID 44762282) is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide is CCc1c(C)nn(-c2ccc(C(=O)NCc3ccco3)cc2)c1C.
What is the InChIKey of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is YVQGQOWMFWPARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-18-13(2)21-22(14(18)3)16-9-7-15(8-10-16)19(23)20-12-17-6-5-11-24-17/h5-11H,4,12H2,1-3H3,(H,20,23).
What are the key properties of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide?
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44762282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).