4-bromo-5-methoxy-1-methylpyrazole

C5H7BrN2O — CID 13131235

IUPAC4-bromo-5-methoxy-1-methylpyrazole
SMILESCOc1c(Br)cnn1C
InChIInChI=1S/C5H7BrN2O/c1-8-5(9-2)4(6)3-7-8/h3H,1-2H3
InChIKeyMKHYVCLHLMTEKP-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.19
Rot. Bonds1

About 4-bromo-5-methoxy-1-methylpyrazole

4-bromo-5-methoxy-1-methylpyrazole (PubChem CID 13131235) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 4-bromo-5-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-methoxy-1-methylpyrazole
PubChem CID13131235
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name4-bromo-5-methoxy-1-methylpyrazole
SMILESCOc1c(Br)cnn1C
InChIInChI=1S/C5H7BrN2O/c1-8-5(9-2)4(6)3-7-8/h3H,1-2H3
InChIKeyMKHYVCLHLMTEKP-UHFFFAOYSA-N
XLogP1.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 12100054
3-Methoxy-1-methyl-1H-pyrazole
CID 18622370
4-bromo-3-methoxy-1-methyl-1H-pyrazole
CID 67003909
(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanamine
CID 82594285
3-bromo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 84040282
4-Iodo-3-methoxy-1-methyl-1H-pyrazole
CID 134540668
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
3-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 82651116
5-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 91531384
4-Bromo-5-(difluoromethoxy)-1-methylpyrazole
CID 91806612
3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 128964481
3-Methoxy-1-methyl-4-(trifluoromethyl)pyrazole
CID 140430866

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-1-methylpyrazole?
The IUPAC name of 4-bromo-5-methoxy-1-methylpyrazole (CID 13131235) is 4-bromo-5-methoxy-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-methoxy-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-methoxy-1-methylpyrazole is COc1c(Br)cnn1C.
What is the InChIKey of 4-bromo-5-methoxy-1-methylpyrazole?
The InChIKey is MKHYVCLHLMTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-8-5(9-2)4(6)3-7-8/h3H,1-2H3.
What are the key properties of 4-bromo-5-methoxy-1-methylpyrazole?
4-bromo-5-methoxy-1-methylpyrazole has a molecular weight of 191.03 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-1-methylpyrazole is sourced from PubChem (CID 13131235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).