[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol

C13H20N4O2S — CID 114638408

IUPAC[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1csc(C)n1
InChIInChI=1S/C13H20N4O2S/c1-9-15-10(8-20-9)13(18)12-11(19-4)7-14-17(12)6-5-16(2)3/h7-8,13,18H,5-6H2,1-4H3
InChIKeyKIOZRYCJXDKAPL-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.30
Rot. Bonds6

About [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol (PubChem CID 114638408) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
PubChem CID114638408
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1csc(C)n1
InChIInChI=1S/C13H20N4O2S/c1-9-15-10(8-20-9)13(18)12-11(19-4)7-14-17(12)6-5-16(2)3/h7-8,13,18H,5-6H2,1-4H3
InChIKeyKIOZRYCJXDKAPL-UHFFFAOYSA-N
XLogP1.30
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114643699
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834677
2-[5-[amino-(2-methyl-1,3-thiazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182393
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
(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114634300
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647
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

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol (CID 114638408) is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol is COc1cnn(CCN(C)C)c1C(O)c1csc(C)n1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol?
The InChIKey is KIOZRYCJXDKAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-15-10(8-20-9)13(18)12-11(19-4)7-14-17(12)6-5-16(2)3/h7-8,13,18H,5-6H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol?
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol has a molecular weight of 296.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 114638408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).