(3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol

C11H15BrN4O — CID 164719416

IUPAC(3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2Br)c(C)n1
InChIInChI=1S/C11H15BrN4O/c1-4-16-6-8(7(2)13-16)10(17)9-5-15(3)14-11(9)12/h5-6,10,17H,4H2,1-3H3
InChIKeyWWLWYEPNFFUISM-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.79
Rot. Bonds3

About (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol

(3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol (PubChem CID 164719416) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol
PubChem CID164719416
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2Br)c(C)n1
InChIInChI=1S/C11H15BrN4O/c1-4-16-6-8(7(2)13-16)10(17)9-5-15(3)14-11(9)12/h5-6,10,17H,4H2,1-3H3
InChIKeyWWLWYEPNFFUISM-UHFFFAOYSA-N
XLogP1.79
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol (CID 164719416) is (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cn(C)nc2Br)c(C)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol?
The InChIKey is WWLWYEPNFFUISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-4-16-6-8(7(2)13-16)10(17)9-5-15(3)14-11(9)12/h5-6,10,17H,4H2,1-3H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol?
(3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol has a molecular weight of 299.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 164719416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).