4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide

C13H14BrN3O2 — CID 712427

IUPAC4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nn(C)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-8-4-5-11(19-3)10(6-8)15-13(18)12-9(14)7-17(2)16-12/h4-7H,1-3H3,(H,15,18)
InChIKeyLIAUGCYJKMGURJ-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.75
Rot. Bonds3

About 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 712427) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID712427
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nn(C)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-8-4-5-11(19-3)10(6-8)15-13(18)12-9(14)7-17(2)16-12/h4-7H,1-3H3,(H,15,18)
InChIKeyLIAUGCYJKMGURJ-UHFFFAOYSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 690237
1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
4-bromo-1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4450244
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
4-Bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 604548
4-bromo-N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 708257
4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 891892
4-bromo-N-(2-ethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903277
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
CID 24811073
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
1-[[(4-Bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
CID 2210439

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 712427) is 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(C)cc1NC(=O)c1nn(C)cc1Br.
What is the InChIKey of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is LIAUGCYJKMGURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-4-5-11(19-3)10(6-8)15-13(18)12-9(14)7-17(2)16-12/h4-7H,1-3H3,(H,15,18).
What are the key properties of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 712427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).