(5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol

C10H14BrN5O — CID 167278832

IUPAC(5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol
SMILESCCn1ncc(C(O)c2nn(C)nc2C)c1Br
InChIInChI=1S/C10H14BrN5O/c1-4-16-10(11)7(5-12-16)9(17)8-6(2)13-15(3)14-8/h5,9,17H,4H2,1-3H3
InChIKeyQXGKRMYMBILRAR-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.18
Rot. Bonds3

About (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol

(5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol (PubChem CID 167278832) has the molecular formula C10H14BrN5O and a molecular weight of 300.16 g/mol. Its IUPAC name is (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol
PubChem CID167278832
Molecular FormulaC10H14BrN5O
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name(5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol
SMILESCCn1ncc(C(O)c2nn(C)nc2C)c1Br
InChIInChI=1S/C10H14BrN5O/c1-4-16-10(11)7(5-12-16)9(17)8-6(2)13-15(3)14-8/h5,9,17H,4H2,1-3H3
InChIKeyQXGKRMYMBILRAR-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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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol?
The IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol (CID 167278832) is (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol is CCn1ncc(C(O)c2nn(C)nc2C)c1Br.
What is the InChIKey of (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol?
The InChIKey is QXGKRMYMBILRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5O/c1-4-16-10(11)7(5-12-16)9(17)8-6(2)13-15(3)14-8/h5,9,17H,4H2,1-3H3.
What are the key properties of (5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol?
(5-bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-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-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol is sourced from PubChem (CID 167278832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).