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

C12H15BrN2OS — CID 115798611

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

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

(5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 115798611) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID115798611
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H15BrN2OS/c1-3-6-15-9(4-5-14-15)11(16)10-7-8(2)12(13)17-10/h4-5,7,11,16H,3,6H2,1-2H3
InChIKeyVIJVOAXKFGSODQ-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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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol
CID 115798529
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837682
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
N-[(4,5-dibromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857741
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol
CID 114638733
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (CID 115798611) is (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc(C)c(Br)s1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is VIJVOAXKFGSODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-3-6-15-9(4-5-14-15)11(16)10-7-8(2)12(13)17-10/h4-5,7,11,16H,3,6H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
(5-bromo-4-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 (5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 115798611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).