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

C10H11BrN2OS — CID 103138641

IUPAC(5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1cc(C(O)c2ccn(C)n2)sc1Br
InChIInChI=1S/C10H11BrN2OS/c1-6-5-8(15-10(6)11)9(14)7-3-4-13(2)12-7/h3-5,9,14H,1-2H3
InChIKeyVHQJHHZBHGKORF-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.63
Rot. Bonds2

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

(5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138641) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103138641
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1cc(C(O)c2ccn(C)n2)sc1Br
InChIInChI=1S/C10H11BrN2OS/c1-6-5-8(15-10(6)11)9(14)7-3-4-13(2)12-7/h3-5,9,14H,1-2H3
InChIKeyVHQJHHZBHGKORF-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (CID 103138641) is (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol is Cc1cc(C(O)c2ccn(C)n2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is VHQJHHZBHGKORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-6-5-8(15-10(6)11)9(14)7-3-4-13(2)12-7/h3-5,9,14H,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 287.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).