(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol

C13H14Br2N2O — CID 115834761

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O/c1-3-17-12(11(15)7-16-17)13(18)9-4-8(2)5-10(14)6-9/h4-7,13,18H,3H2,1-2H3
InChIKeyBCBLWZLRPZMKQC-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.82
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol (PubChem CID 115834761) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
PubChem CID115834761
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O/c1-3-17-12(11(15)7-16-17)13(18)9-4-8(2)5-10(14)6-9/h4-7,13,18H,3H2,1-2H3
InChIKeyBCBLWZLRPZMKQC-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
1,3-benzodioxol-5-yl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114634633
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol (CID 115834761) is (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol is CCn1ncc(Br)c1C(O)c1cc(C)cc(Br)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol?
The InChIKey is BCBLWZLRPZMKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-3-17-12(11(15)7-16-17)13(18)9-4-8(2)5-10(14)6-9/h4-7,13,18H,3H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol has a molecular weight of 374.08 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol is sourced from PubChem (CID 115834761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).