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

C11H9BrCl2N2O — CID 107947833

IUPAC(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H9BrCl2N2O/c1-16-10(9(14)5-15-16)11(17)6-2-7(12)4-8(13)3-6/h2-5,11,17H,1H3
InChIKeyMQPCCWQLPSWYOU-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.57
Rot. Bonds2

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

(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (PubChem CID 107947833) has the molecular formula C11H9BrCl2N2O and a molecular weight of 336.02 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
PubChem CID107947833
Molecular FormulaC11H9BrCl2N2O
Molecular Weight336.02 g/mol
Exact Mass333.93
IUPAC Name(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H9BrCl2N2O/c1-16-10(9(14)5-15-16)11(17)6-2-7(12)4-8(13)3-6/h2-5,11,17H,1H3
InChIKeyMQPCCWQLPSWYOU-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817
(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 114634559
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 114634492
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338868
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanol
CID 114644889

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (CID 107947833) is (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol is Cn1ncc(Cl)c1C(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The InChIKey is MQPCCWQLPSWYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O/c1-16-10(9(14)5-15-16)11(17)6-2-7(12)4-8(13)3-6/h2-5,11,17H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol has a molecular weight of 336.02 g/mol, XLogP of 3.57, 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-chloro-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 107947833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).