(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol

C11H10BrClN2O — CID 114981782

IUPAC(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cccc(Br)c2Cl)cn1
InChIInChI=1S/C11H10BrClN2O/c1-15-6-7(5-14-15)11(16)8-3-2-4-9(12)10(8)13/h2-6,11,16H,1H3
InChIKeyDNSAHYLFGSPIFS-UHFFFAOYSA-N
MW301.57 g/mol
LogP2.92
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol

(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 114981782) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID114981782
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cccc(Br)c2Cl)cn1
InChIInChI=1S/C11H10BrClN2O/c1-15-6-7(5-14-15)11(16)8-3-2-4-9(12)10(8)13/h2-6,11,16H,1H3
InChIKeyDNSAHYLFGSPIFS-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799091
(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol
CID 107947298
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 112749020
(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283578
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115808803
(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol
CID 115805570
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol (CID 114981782) is (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cccc(Br)c2Cl)cn1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is DNSAHYLFGSPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-15-6-7(5-14-15)11(16)8-3-2-4-9(12)10(8)13/h2-6,11,16H,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 301.57 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114981782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).