4-bromo-5-methoxy-3-methyl-1-phenylpyrazole

C11H11BrN2O — CID 127031492

IUPAC4-bromo-5-methoxy-3-methyl-1-phenylpyrazole
SMILESCOc1c(Br)c(C)nn1-c1ccccc1
InChIInChI=1S/C11H11BrN2O/c1-8-10(12)11(15-2)14(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyXDNHNONQPBABCM-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.95
Rot. Bonds2

About 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole

4-bromo-5-methoxy-3-methyl-1-phenylpyrazole (PubChem CID 127031492) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-bromo-5-methoxy-3-methyl-1-phenylpyrazole
PubChem CID127031492
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-bromo-5-methoxy-3-methyl-1-phenylpyrazole
SMILESCOc1c(Br)c(C)nn1-c1ccccc1
InChIInChI=1S/C11H11BrN2O/c1-8-10(12)11(15-2)14(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyXDNHNONQPBABCM-UHFFFAOYSA-N
XLogP2.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrolan
CID 6888
1-(4-chlorophenyl)-5-methoxy-3-methyl-1H-pyrazole
CID 2318102
5-Ethoxy-3-methyl-1-phenylpyrazole
CID 555100
Pyrazole, 5-(2-(dimethylamino)ethoxy)-3-methyl-1-phenyl-
CID 199978
Pyrazole, 5-(2,3-epoxypropoxy)-3-methyl-1-phenyl-
CID 203735
N-[dimethylamino-(5-ethoxy-3-methyl-1-phenylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine
CID 2420535
5-Methoxy-3-methyl-1-phenyl-1H-pyrazole
CID 13434128
Ethanol, 2-(3-methyl-1-phenyl-5-pyrazolyloxy)-
CID 21469
Ammonium, (2-(3-methyl-1-phenyl-5-pyrazolyloxy)ethyl)trimethyl-, iodide
CID 21683
Pyrazole, 5-(2-chloroethoxy)-3-methyl-1-phenyl-
CID 199977
Pyrazole, 5-(2-(diethylamino)ethoxy)-3-methyl-1-phenyl-
CID 199979
Pyrazole, 5-(2-(dipropylamino)ethoxy)-3-methyl-1-phenyl-
CID 199980

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole?
The IUPAC name of 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole (CID 127031492) is 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole?
The canonical SMILES for 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole is COc1c(Br)c(C)nn1-c1ccccc1.
What is the InChIKey of 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole?
The InChIKey is XDNHNONQPBABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-10(12)11(15-2)14(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole?
4-bromo-5-methoxy-3-methyl-1-phenylpyrazole has a molecular weight of 267.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 127031492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).