3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide

C20H18ClN3O2 — CID 146503907

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide
SMILESCc1nn(-c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)c(C)c1Cl
InChIInChI=1S/C20H18ClN3O2/c1-12-19(21)13(2)24(23-12)18-5-3-4-14(9-18)20(25)22-17-7-6-15-10-26-11-16(15)8-17/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyVJKNCAOQXWSEED-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.43
Rot. Bonds3

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide (PubChem CID 146503907) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide
PubChem CID146503907
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide
SMILESCc1nn(-c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)c(C)c1Cl
InChIInChI=1S/C20H18ClN3O2/c1-12-19(21)13(2)24(23-12)18-5-3-4-14(9-18)20(25)22-17-7-6-15-10-26-11-16(15)8-17/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyVJKNCAOQXWSEED-UHFFFAOYSA-N
XLogP4.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide
CID 142429085
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide
CID 142429020
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1H-indol-3-yl)benzamide
CID 16672917
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 71707580
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-phenylbenzamide
CID 142429119
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 142429012
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(chloromethyl)-1,3-benzodioxol-5-yl]-N-methylbenzamide
CID 158120747
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(hydroxymethyl)-1,3-benzodioxol-5-yl]-N-methylbenzamide
CID 158120749

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide (CID 146503907) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide is Cc1nn(-c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide?
The InChIKey is VJKNCAOQXWSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-19(21)13(2)24(23-12)18-5-3-4-14(9-18)20(25)22-17-7-6-15-10-26-11-16(15)8-17/h3-9H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide has a molecular weight of 367.84 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 146503907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).