(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol

C11H9Br2ClN2O — CID 107947873

IUPAC(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H9Br2ClN2O/c1-16-10(9(13)5-15-16)11(17)6-2-7(12)4-8(14)3-6/h2-5,11,17H,1H3
InChIKeyVNJVZVSXXRIKDT-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.68
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol

(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol (PubChem CID 107947873) has the molecular formula C11H9Br2ClN2O and a molecular weight of 380.47 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
PubChem CID107947873
Molecular FormulaC11H9Br2ClN2O
Molecular Weight380.47 g/mol
Exact Mass377.88
IUPAC Name(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H9Br2ClN2O/c1-16-10(9(13)5-15-16)11(17)6-2-7(12)4-8(14)3-6/h2-5,11,17H,1H3
InChIKeyVNJVZVSXXRIKDT-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
CID 114019567
(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114637474
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
(3-bromo-5-chlorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 107946811
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
CID 103443544
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408313
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol (CID 107947873) is (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol is Cn1ncc(Br)c1C(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol?
The InChIKey is VNJVZVSXXRIKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2ClN2O/c1-16-10(9(13)5-15-16)11(17)6-2-7(12)4-8(14)3-6/h2-5,11,17H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol?
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol has a molecular weight of 380.47 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 107947873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).