(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol

C9H7Br3N2OS — CID 107969950

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C9H7Br3N2OS/c1-14-7(5(10)3-13-14)8(15)4-2-6(11)16-9(4)12/h2-3,8,15H,1H3
InChIKeyCAYVOIKWRIPLDF-UHFFFAOYSA-N
MW430.95 g/mol
LogP3.85
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 107969950) has the molecular formula C9H7Br3N2OS and a molecular weight of 430.95 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID107969950
Molecular FormulaC9H7Br3N2OS
Molecular Weight430.95 g/mol
Exact Mass427.78
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C9H7Br3N2OS/c1-14-7(5(10)3-13-14)8(15)4-2-6(11)16-9(4)12/h2-3,8,15H,1H3
InChIKeyCAYVOIKWRIPLDF-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969580
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
CID 105132487
(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114634255
(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
CID 114634352

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol (CID 107969950) is (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol is Cn1ncc(Br)c1C(O)c1cc(Br)sc1Br.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is CAYVOIKWRIPLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3N2OS/c1-14-7(5(10)3-13-14)8(15)4-2-6(11)16-9(4)12/h2-3,8,15H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 430.95 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 107969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).