(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol

C11H10Br2N2O — CID 107947298

IUPAC(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C11H10Br2N2O/c1-15-6-7(5-14-15)11(16)9-3-2-8(12)4-10(9)13/h2-6,11,16H,1H3
InChIKeyUNOBAUGIWRMRHB-UHFFFAOYSA-N
MW346.02 g/mol
LogP3.03
Rot. Bonds2

About (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol

(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 107947298) has the molecular formula C11H10Br2N2O and a molecular weight of 346.02 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID107947298
Molecular FormulaC11H10Br2N2O
Molecular Weight346.02 g/mol
Exact Mass343.92
IUPAC Name(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C11H10Br2N2O/c1-15-6-7(5-14-15)11(16)9-3-2-8(12)4-10(9)13/h2-6,11,16H,1H3
InChIKeyUNOBAUGIWRMRHB-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 112749020
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
(2,4-dibromophenyl)-(3,5-dimethylphenyl)methanol
CID 107947280
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
CID 63901158
2-[(2,4-dibromobenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107938256
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 62688971
1-[4-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 82973683
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485
(2,4-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955363

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol (CID 107947298) is (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is UNOBAUGIWRMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O/c1-15-6-7(5-14-15)11(16)9-3-2-8(12)4-10(9)13/h2-6,11,16H,1H3.
What are the key properties of (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol?
(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 346.02 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 107947298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).