4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole

C11H15BrN4O — CID 116804551

IUPAC4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
SMILESCCn1cc(OCc2c(Br)c(C)nn2C)cn1
InChIInChI=1S/C11H15BrN4O/c1-4-16-6-9(5-13-16)17-7-10-11(12)8(2)14-15(10)3/h5-6H,4,7H2,1-3H3
InChIKeyLEKRIVHKWDMLLW-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.29
Rot. Bonds4

About 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole

4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole (PubChem CID 116804551) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
PubChem CID116804551
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
SMILESCCn1cc(OCc2c(Br)c(C)nn2C)cn1
InChIInChI=1S/C11H15BrN4O/c1-4-16-6-9(5-13-16)17-7-10-11(12)8(2)14-15(10)3/h5-6H,4,7H2,1-3H3
InChIKeyLEKRIVHKWDMLLW-UHFFFAOYSA-N
XLogP2.29
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
CID 116794058
4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
CID 116804653
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole
CID 107089254
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2-methylaniline
CID 114252449
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
CID 116805241
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684192
N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole (CID 116804551) is 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole is CCn1cc(OCc2c(Br)c(C)nn2C)cn1.
What is the InChIKey of 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole?
The InChIKey is LEKRIVHKWDMLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-4-16-6-9(5-13-16)17-7-10-11(12)8(2)14-15(10)3/h5-6H,4,7H2,1-3H3.
What are the key properties of 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole?
4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole has a molecular weight of 299.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 116804551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).