4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole

C10H13BrN4O — CID 116794058

IUPAC4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
SMILESCc1nn(C)c(COc2cnn(C)c2)c1Br
InChIInChI=1S/C10H13BrN4O/c1-7-10(11)9(15(3)13-7)6-16-8-4-12-14(2)5-8/h4-5H,6H2,1-3H3
InChIKeyAFFUNVXGLJWJPQ-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.80
Rot. Bonds3

About 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole

4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole (PubChem CID 116794058) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
PubChem CID116794058
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
SMILESCc1nn(C)c(COc2cnn(C)c2)c1Br
InChIInChI=1S/C10H13BrN4O/c1-7-10(11)9(15(3)13-7)6-16-8-4-12-14(2)5-8/h4-5H,6H2,1-3H3
InChIKeyAFFUNVXGLJWJPQ-UHFFFAOYSA-N
XLogP1.80
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
CID 116804551
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2-methylaniline
CID 114252449
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684192
4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
CID 116805241
4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
CID 115753041
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-bromo-3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]aniline
CID 103008965
4-bromo-5-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-dimethylpyrazole
CID 107098457
4-bromo-5-[[4-bromo-2-(bromomethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 115962382
4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 83140822
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole
CID 102607214

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole?
The IUPAC name of 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole (CID 116794058) is 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole.
What is the SMILES notation for 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole?
The canonical SMILES for 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole is Cc1nn(C)c(COc2cnn(C)c2)c1Br.
What is the InChIKey of 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole?
The InChIKey is AFFUNVXGLJWJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-7-10(11)9(15(3)13-7)6-16-8-4-12-14(2)5-8/h4-5H,6H2,1-3H3.
What are the key properties of 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole?
4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole has a molecular weight of 285.14 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole is sourced from PubChem (CID 116794058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).