(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone

C14H15BrN2O3 — CID 103524383

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2cnn(C)c2C)c(OC)c1Br
InChIInChI=1S/C14H15BrN2O3/c1-8-10(7-16-17(8)2)13(18)9-5-6-11(19-3)12(15)14(9)20-4/h5-7H,1-4H3
InChIKeyLPVKKUHDLLNLDM-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.74
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone

(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 103524383) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID103524383
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2cnn(C)c2C)c(OC)c1Br
InChIInChI=1S/C14H15BrN2O3/c1-8-10(7-16-17(8)2)13(18)9-5-6-11(19-3)12(15)14(9)20-4/h5-7H,1-4H3
InChIKeyLPVKKUHDLLNLDM-UHFFFAOYSA-N
XLogP2.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 103524405
(3-bromo-2,4-dimethoxyphenyl)-(2H-triazol-4-yl)methanone
CID 103523100
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681934
(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate
CID 47137693
[(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 19456475
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 103523114
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 105100479

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone (CID 103524383) is (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone is COc1ccc(C(=O)c2cnn(C)c2C)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is LPVKKUHDLLNLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8-10(7-16-17(8)2)13(18)9-5-6-11(19-3)12(15)14(9)20-4/h5-7H,1-4H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 339.19 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 103524383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).