(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol

C14H20BrN3O2S — CID 115834677

IUPAC(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H20BrN3O2S/c1-9-7-11(21-14(9)15)13(19)12-10(20-4)8-16-18(12)6-5-17(2)3/h7-8,13,19H,5-6H2,1-4H3
InChIKeyLZOWSXRIJIUCBR-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.67
Rot. Bonds6

About (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol

(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (PubChem CID 115834677) has the molecular formula C14H20BrN3O2S and a molecular weight of 374.30 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
PubChem CID115834677
Molecular FormulaC14H20BrN3O2S
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H20BrN3O2S/c1-9-7-11(21-14(9)15)13(19)12-10(20-4)8-16-18(12)6-5-17(2)3/h7-8,13,19H,5-6H2,1-4H3
InChIKeyLZOWSXRIJIUCBR-UHFFFAOYSA-N
XLogP2.67
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol with MolForge

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837682
(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114643699
(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114634300
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638408
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
2-[5-[(5-bromo-4-methylthiophen-2-yl)-(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038987
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (CID 115834677) is (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is COc1cnn(CCN(C)C)c1C(O)c1cc(C)c(Br)s1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The InChIKey is LZOWSXRIJIUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S/c1-9-7-11(21-14(9)15)13(19)12-10(20-4)8-16-18(12)6-5-17(2)3/h7-8,13,19H,5-6H2,1-4H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol has a molecular weight of 374.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is sourced from PubChem (CID 115834677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).