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

C13H14BrN3O3 — CID 86801789

IUPACN-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccnn2C)cc1Br
InChIInChI=1S/C13H14BrN3O3/c1-17-10(4-5-15-17)13(18)16-9-6-8(14)11(19-2)7-12(9)20-3/h4-7H,1-3H3,(H,16,18)
InChIKeyNMSPOWWIDCSGPF-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.45
Rot. Bonds4

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

N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 86801789) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID86801789
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC NameN-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccnn2C)cc1Br
InChIInChI=1S/C13H14BrN3O3/c1-17-10(4-5-15-17)13(18)16-9-6-8(14)11(19-2)7-12(9)20-3/h4-7H,1-3H3,(H,16,18)
InChIKeyNMSPOWWIDCSGPF-UHFFFAOYSA-N
XLogP2.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972670
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 110467173
ethyl 3-bromo-4-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 43664920
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110507
(2-bromo-6-methoxyphenyl) 2-methylpyrazole-3-carboxylate
CID 71968160
N-(4-bromo-2-carbamothioylphenyl)-2-methylpyrazole-3-carboxamide
CID 82703437
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 19475556

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide (CID 86801789) is N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide is COc1cc(OC)c(NC(=O)c2ccnn2C)cc1Br.
What is the InChIKey of N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is NMSPOWWIDCSGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-17-10(4-5-15-17)13(18)16-9-6-8(14)11(19-2)7-12(9)20-3/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 340.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 86801789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).