(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol

C10H14BrN5O — CID 106465689

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol
SMILESCCn1nc(C)cc1C(O)c1c(Br)nnn1C
InChIInChI=1S/C10H14BrN5O/c1-4-16-7(5-6(2)13-16)9(17)8-10(11)12-14-15(8)3/h5,9,17H,4H2,1-3H3
InChIKeyJGBVJIFYTJRFCQ-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.18
Rot. Bonds3

About (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol (PubChem CID 106465689) has the molecular formula C10H14BrN5O and a molecular weight of 300.16 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol
PubChem CID106465689
Molecular FormulaC10H14BrN5O
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol
SMILESCCn1nc(C)cc1C(O)c1c(Br)nnn1C
InChIInChI=1S/C10H14BrN5O/c1-4-16-7(5-6(2)13-16)9(17)8-10(11)12-14-15(8)3/h5,9,17H,4H2,1-3H3
InChIKeyJGBVJIFYTJRFCQ-UHFFFAOYSA-N
XLogP1.18
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 106465134
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 106461399
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786617
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 105095513

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol (CID 106465689) is (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol is CCn1nc(C)cc1C(O)c1c(Br)nnn1C.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol?
The InChIKey is JGBVJIFYTJRFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5O/c1-4-16-7(5-6(2)13-16)9(17)8-10(11)12-14-15(8)3/h5,9,17H,4H2,1-3H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol has a molecular weight of 300.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 106465689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).