3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide

C20H20ClN3O3 — CID 43036788

IUPAC3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc(Cl)c1OC
InChIInChI=1S/C20H20ClN3O3/c1-12-5-7-15(8-6-12)24-18(9-13(2)23-24)22-20(25)14-10-16(21)19(27-4)17(11-14)26-3/h5-11H,1-4H3,(H,22,25)
InChIKeyOICUKXPDMUNLIG-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.41
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide

3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 43036788) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID43036788
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc(Cl)c1OC
InChIInChI=1S/C20H20ClN3O3/c1-12-5-7-15(8-6-12)24-18(9-13(2)23-24)22-20(25)14-10-16(21)19(27-4)17(11-14)26-3/h5-11H,1-4H3,(H,22,25)
InChIKeyOICUKXPDMUNLIG-UHFFFAOYSA-N
XLogP4.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502745
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182001

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide (CID 43036788) is 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide is COc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is OICUKXPDMUNLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-5-7-15(8-6-12)24-18(9-13(2)23-24)22-20(25)14-10-16(21)19(27-4)17(11-14)26-3/h5-11H,1-4H3,(H,22,25).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide?
3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 43036788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).