4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide

C13H13Cl2N3O2 — CID 154805189

IUPAC4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C13H13Cl2N3O2/c1-6-7(2)17-18-12(6)16-13(19)8-4-9(14)10(15)5-11(8)20-3/h4-5H,1-3H3,(H2,16,17,18,19)
InChIKeyZJSWMHJUOIRPGT-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.59
Rot. Bonds3

About 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide

4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide (PubChem CID 154805189) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
PubChem CID154805189
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C13H13Cl2N3O2/c1-6-7(2)17-18-12(6)16-13(19)8-4-9(14)10(15)5-11(8)20-3/h4-5H,1-3H3,(H2,16,17,18,19)
InChIKeyZJSWMHJUOIRPGT-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
CID 115609989
4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
CID 112547954
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115622239
2,3-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107191815
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344588
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103296808
N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859494

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
The IUPAC name of 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide (CID 154805189) is 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide.
What is the SMILES notation for 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
The canonical SMILES for 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide is COc1cc(Cl)c(Cl)cc1C(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
The InChIKey is ZJSWMHJUOIRPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-6-7(2)17-18-12(6)16-13(19)8-4-9(14)10(15)5-11(8)20-3/h4-5H,1-3H3,(H2,16,17,18,19).
What are the key properties of 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide has a molecular weight of 314.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 154805189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).