(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

C13H17BrN2O2S — CID 115837682

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H17BrN2O2S/c1-4-5-16-11(9(18-3)7-15-16)12(17)10-6-8(2)13(14)19-10/h6-7,12,17H,4-5H2,1-3H3
InChIKeyRUOBRYSXTRTTSZ-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.52
Rot. Bonds5

About (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 115837682) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID115837682
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H17BrN2O2S/c1-4-5-16-11(9(18-3)7-15-16)12(17)10-6-8(2)13(14)19-10/h6-7,12,17H,4-5H2,1-3H3
InChIKeyRUOBRYSXTRTTSZ-UHFFFAOYSA-N
XLogP3.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834677
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784
(5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798611
(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634965
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638165
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105130490
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
(4-methoxy-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636682

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 115837682) is (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)c1cc(C)c(Br)s1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is RUOBRYSXTRTTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c1-4-5-16-11(9(18-3)7-15-16)12(17)10-6-8(2)13(14)19-10/h6-7,12,17H,4-5H2,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 345.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 115837682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).