2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide

C15H18BrN3O2 — CID 19533348

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)n1cc(Br)c(C)n1
InChIInChI=1S/C15H18BrN3O2/c1-9-5-6-14(21-4)13(7-9)17-15(20)11(3)19-8-12(16)10(2)18-19/h5-8,11H,1-4H3,(H,17,20)
InChIKeyHLXBTMGNPZFQLU-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.47
Rot. Bonds4

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 19533348) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID19533348
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)n1cc(Br)c(C)n1
InChIInChI=1S/C15H18BrN3O2/c1-9-5-6-14(21-4)13(7-9)17-15(20)11(3)19-8-12(16)10(2)18-19/h5-8,11H,1-4H3,(H,17,20)
InChIKeyHLXBTMGNPZFQLU-UHFFFAOYSA-N
XLogP3.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 19533298
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 45497099
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 46630134
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 19533316
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19533439

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide (CID 19533348) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)C(C)n1cc(Br)c(C)n1.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is HLXBTMGNPZFQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9-5-6-14(21-4)13(7-9)17-15(20)11(3)19-8-12(16)10(2)18-19/h5-8,11H,1-4H3,(H,17,20).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 352.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 19533348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).