[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol

C13H17BrN4O2 — CID 114636697

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cncn1C1CC1
InChIInChI=1S/C13H17BrN4O2/c1-20-5-4-18-12(10(14)6-16-18)13(19)11-7-15-8-17(11)9-2-3-9/h6-9,13,19H,2-5H2,1H3
InChIKeySQZRTUNJVZFHAB-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.91
Rot. Bonds6

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol (PubChem CID 114636697) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol
PubChem CID114636697
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cncn1C1CC1
InChIInChI=1S/C13H17BrN4O2/c1-20-5-4-18-12(10(14)6-16-18)13(19)11-7-15-8-17(11)9-2-3-9/h6-9,13,19H,2-5H2,1H3
InChIKeySQZRTUNJVZFHAB-UHFFFAOYSA-N
XLogP1.91
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
CID 114637094
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
CID 107978687
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
CID 115835756
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
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-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxybutan-1-ol
CID 105128583
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol (CID 114636697) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol is COCCn1ncc(Br)c1C(O)c1cncn1C1CC1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol?
The InChIKey is SQZRTUNJVZFHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-20-5-4-18-12(10(14)6-16-18)13(19)11-7-15-8-17(11)9-2-3-9/h6-9,13,19H,2-5H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol has a molecular weight of 341.21 g/mol, XLogP of 1.91, 6 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]-(3-cyclopropylimidazol-4-yl)methanol is sourced from PubChem (CID 114636697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).