(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C13H14Br2N2O2 — CID 107978711

IUPAC(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O2/c1-3-17-12(11(19-2)7-16-17)13(18)8-4-9(14)6-10(15)5-8/h4-7,13,18H,3H2,1-2H3
InChIKeyDIDGDHQZBJKCQW-UHFFFAOYSA-N
MW390.08 g/mol
LogP3.52
Rot. Bonds4

About (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 107978711) has the molecular formula C13H14Br2N2O2 and a molecular weight of 390.08 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID107978711
Molecular FormulaC13H14Br2N2O2
Molecular Weight390.08 g/mol
Exact Mass387.94
IUPAC Name(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O2/c1-3-17-12(11(19-2)7-16-17)13(18)8-4-9(14)6-10(15)5-8/h4-7,13,18H,3H2,1-2H3
InChIKeyDIDGDHQZBJKCQW-UHFFFAOYSA-N
XLogP3.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107978713
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
2,3-dihydro-1H-inden-5-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837075
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572559
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 107978711) is (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is DIDGDHQZBJKCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2/c1-3-17-12(11(19-2)7-16-17)13(18)8-4-9(14)6-10(15)5-8/h4-7,13,18H,3H2,1-2H3.
What are the key properties of (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 390.08 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 107978711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).