4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

C13H13BrClN3O3 — CID 3404956

IUPAC4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(C)cc2Br)c(OC)cc1Cl
InChIInChI=1S/C13H13BrClN3O3/c1-18-6-7(14)12(17-18)13(19)16-9-5-10(20-2)8(15)4-11(9)21-3/h4-6H,1-3H3,(H,16,19)
InChIKeyGPMJMDUZMQTISR-UHFFFAOYSA-N
MW374.62 g/mol
LogP3.11
Rot. Bonds4

About 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 3404956) has the molecular formula C13H13BrClN3O3 and a molecular weight of 374.62 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID3404956
Molecular FormulaC13H13BrClN3O3
Molecular Weight374.62 g/mol
Exact Mass372.98
IUPAC Name4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(C)cc2Br)c(OC)cc1Cl
InChIInChI=1S/C13H13BrClN3O3/c1-18-6-7(14)12(17-18)13(19)16-9-5-10(20-2)8(15)4-11(9)21-3/h4-6H,1-3H3,(H,16,19)
InChIKeyGPMJMDUZMQTISR-UHFFFAOYSA-N
XLogP3.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692030
N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864454
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 19262883
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 3404956) is 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2nn(C)cc2Br)c(OC)cc1Cl.
What is the InChIKey of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is GPMJMDUZMQTISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O3/c1-18-6-7(14)12(17-18)13(19)16-9-5-10(20-2)8(15)4-11(9)21-3/h4-6H,1-3H3,(H,16,19).
What are the key properties of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 374.62 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 3404956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).