5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide

C22H24ClN3O4 — CID 19341336

IUPAC5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cn2nc(C)c(NC(=O)c3cc(Cl)ccc3OC)c2C)cc1OC
InChIInChI=1S/C22H24ClN3O4/c1-13-21(24-22(27)17-11-16(23)7-9-18(17)28-3)14(2)26(25-13)12-15-6-8-19(29-4)20(10-15)30-5/h6-11H,12H2,1-5H3,(H,24,27)
InChIKeyFCYTUCKSKGXYKZ-UHFFFAOYSA-N
MW429.90 g/mol
LogP4.48
Rot. Bonds7

About 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide

5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide (PubChem CID 19341336) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
PubChem CID19341336
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cn2nc(C)c(NC(=O)c3cc(Cl)ccc3OC)c2C)cc1OC
InChIInChI=1S/C22H24ClN3O4/c1-13-21(24-22(27)17-11-16(23)7-9-18(17)28-3)14(2)26(25-13)12-15-6-8-19(29-4)20(10-15)30-5/h6-11H,12H2,1-5H3,(H,24,27)
InChIKeyFCYTUCKSKGXYKZ-UHFFFAOYSA-N
XLogP4.48
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 19346674
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19341334
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19341335
4-[[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500372
5-chloro-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19408223
1-(3-chlorophenyl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 19449776
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19341356
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19341138
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-ethylbutanamide
CID 19341132
2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408497
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19341366

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide (CID 19341336) is 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide is COc1ccc(Cn2nc(C)c(NC(=O)c3cc(Cl)ccc3OC)c2C)cc1OC.
What is the InChIKey of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide?
The InChIKey is FCYTUCKSKGXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-13-21(24-22(27)17-11-16(23)7-9-18(17)28-3)14(2)26(25-13)12-15-6-8-19(29-4)20(10-15)30-5/h6-11H,12H2,1-5H3,(H,24,27).
What are the key properties of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide?
5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide has a molecular weight of 429.90 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 19341336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).