[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol

C11H15BrN4O2 — CID 107978687

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cn(C)cn1
InChIInChI=1S/C11H15BrN4O2/c1-15-6-9(13-7-15)11(17)10-8(12)5-14-16(10)3-4-18-2/h5-7,11,17H,3-4H2,1-2H3
InChIKeyIRUQFNWTYOCEGN-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.11
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol (PubChem CID 107978687) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
PubChem CID107978687
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cn(C)cn1
InChIInChI=1S/C11H15BrN4O2/c1-15-6-9(13-7-15)11(17)10-8(12)5-14-16(10)3-4-18-2/h5-7,11,17H,3-4H2,1-2H3
InChIKeyIRUQFNWTYOCEGN-UHFFFAOYSA-N
XLogP1.11
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(5-bromothiophen-2-yl)methanol
CID 114634240
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol
CID 114636697

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol (CID 107978687) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol is COCCn1ncc(Br)c1C(O)c1cn(C)cn1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol?
The InChIKey is IRUQFNWTYOCEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-15-6-9(13-7-15)11(17)10-8(12)5-14-16(10)3-4-18-2/h5-7,11,17H,3-4H2,1-2H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol has a molecular weight of 315.17 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 107978687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).