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

C13H18BrN3O2S — CID 114643699

IUPAC(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1cc(Br)cs1
InChIInChI=1S/C13H18BrN3O2S/c1-16(2)4-5-17-12(10(19-3)7-15-17)13(18)11-6-9(14)8-20-11/h6-8,13,18H,4-5H2,1-3H3
InChIKeyUVUSFAMVCHHDHN-UHFFFAOYSA-N
MW360.28 g/mol
LogP2.36
Rot. Bonds6

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

(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (PubChem CID 114643699) has the molecular formula C13H18BrN3O2S and a molecular weight of 360.28 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
PubChem CID114643699
Molecular FormulaC13H18BrN3O2S
Molecular Weight360.28 g/mol
Exact Mass359.03
IUPAC Name(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1cc(Br)cs1
InChIInChI=1S/C13H18BrN3O2S/c1-16(2)4-5-17-12(10(19-3)7-15-17)13(18)11-6-9(14)8-20-11/h6-8,13,18H,4-5H2,1-3H3
InChIKeyUVUSFAMVCHHDHN-UHFFFAOYSA-N
XLogP2.36
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834677
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638408
(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114634300
2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105182790
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837682

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The IUPAC name of (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (CID 114643699) is (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.
What is the SMILES notation for (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The canonical SMILES for (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is COc1cnn(CCN(C)C)c1C(O)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The InChIKey is UVUSFAMVCHHDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2S/c1-16(2)4-5-17-12(10(19-3)7-15-17)13(18)11-6-9(14)8-20-11/h6-8,13,18H,4-5H2,1-3H3.
What are the key properties of (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol has a molecular weight of 360.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is sourced from PubChem (CID 114643699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).