1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one

C10H15BrN2O2 — CID 105135356

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
SMILESCOCC(C)CC(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H15BrN2O2/c1-7(6-15-3)4-9(14)10-8(11)5-12-13(10)2/h5,7H,4,6H2,1-3H3
InChIKeyFRQUXRLGYUATQT-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one

1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one (PubChem CID 105135356) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
PubChem CID105135356
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
SMILESCOCC(C)CC(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H15BrN2O2/c1-7(6-15-3)4-9(14)10-8(11)5-12-13(10)2/h5,7H,4,6H2,1-3H3
InChIKeyFRQUXRLGYUATQT-UHFFFAOYSA-N
XLogP2.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
1-(4-bromo-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 114639107
1-(4-bromo-1-methylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115814932
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,5,5-trimethylhexan-1-one
CID 115805963
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114639523
1-(4-bromo-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103147319
3-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butan-1-one
CID 114668511
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105131020
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 19475064
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-(4-bromo-1-methylpyrazol-5-yl)decan-1-one
CID 115814816

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one (CID 105135356) is 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one is COCC(C)CC(=O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one?
The InChIKey is FRQUXRLGYUATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7(6-15-3)4-9(14)10-8(11)5-12-13(10)2/h5,7H,4,6H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one?
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one has a molecular weight of 275.15 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 105135356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).