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

C11H9BrClIN2O — CID 103217178

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H9BrClIN2O/c1-16-10(7(12)5-15-16)11(17)6-2-3-9(14)8(13)4-6/h2-5,11,17H,1H3
InChIKeyBAELUQRYJGUMRK-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.52
Rot. Bonds2

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

(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol (PubChem CID 103217178) has the molecular formula C11H9BrClIN2O and a molecular weight of 427.47 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
PubChem CID103217178
Molecular FormulaC11H9BrClIN2O
Molecular Weight427.47 g/mol
Exact Mass425.86
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H9BrClIN2O/c1-16-10(7(12)5-15-16)11(17)6-2-3-9(14)8(13)4-6/h2-5,11,17H,1H3
InChIKeyBAELUQRYJGUMRK-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methyl]propan-1-amine
CID 103216485
(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol
CID 103216660
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
CID 105132514
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
CID 103443544
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103216273
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 114634286
(3-chloro-4-iodophenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 112744845
[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
CID 107997373

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol (CID 103217178) is (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol is Cn1ncc(Br)c1C(O)c1ccc(I)c(Cl)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol?
The InChIKey is BAELUQRYJGUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClIN2O/c1-16-10(7(12)5-15-16)11(17)6-2-3-9(14)8(13)4-6/h2-5,11,17H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol has a molecular weight of 427.47 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol is sourced from PubChem (CID 103217178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).