(4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol

C12H15BrN2OS — CID 102829553

IUPAC(4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(Br)c(C)s1
InChIInChI=1S/C12H15BrN2OS/c1-3-6-15-10(4-5-14-15)12(16)11-7-9(13)8(2)17-11/h4-5,7,12,16H,3,6H2,1-2H3
InChIKeyRREADLHBSNBHMJ-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.51
Rot. Bonds4

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

(4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 102829553) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID102829553
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(Br)c(C)s1
InChIInChI=1S/C12H15BrN2OS/c1-3-6-15-10(4-5-14-15)12(16)11-7-9(13)8(2)17-11/h4-5,7,12,16H,3,6H2,1-2H3
InChIKeyRREADLHBSNBHMJ-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (CID 102829553) is (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc(Br)c(C)s1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is RREADLHBSNBHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-3-6-15-10(4-5-14-15)12(16)11-7-9(13)8(2)17-11/h4-5,7,12,16H,3,6H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 315.24 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 102829553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).