(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol

C13H14Br2N2O — CID 114634907

IUPAC(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccccc1Br
InChIInChI=1S/C13H14Br2N2O/c1-2-7-17-12(11(15)8-16-17)13(18)9-5-3-4-6-10(9)14/h3-6,8,13,18H,2,7H2,1H3
InChIKeyZBOSRQIESOZKJA-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.90
Rot. Bonds4

About (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol

(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol (PubChem CID 114634907) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
PubChem CID114634907
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccccc1Br
InChIInChI=1S/C13H14Br2N2O/c1-2-7-17-12(11(15)8-16-17)13(18)9-5-3-4-6-10(9)14/h3-6,8,13,18H,2,7H2,1H3
InChIKeyZBOSRQIESOZKJA-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
CID 115835105
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638030
(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835600
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol (CID 114634907) is (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Br)c1C(O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The InChIKey is ZBOSRQIESOZKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-2-7-17-12(11(15)8-16-17)13(18)9-5-3-4-6-10(9)14/h3-6,8,13,18H,2,7H2,1H3.
What are the key properties of (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol has a molecular weight of 374.08 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).