2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole

C11H15N3S — CID 82699096

IUPAC2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCCc1cc(CC)n(Cc2nccs2)n1
InChIInChI=1S/C11H15N3S/c1-3-9-7-10(4-2)14(13-9)8-11-12-5-6-15-11/h5-7H,3-4,8H2,1-2H3
InChIKeyOFJFOGOQEBJCPR-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.51
Rot. Bonds4

About 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole

2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 82699096) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID82699096
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCCc1cc(CC)n(Cc2nccs2)n1
InChIInChI=1S/C11H15N3S/c1-3-9-7-10(4-2)14(13-9)8-11-12-5-6-15-11/h5-7H,3-4,8H2,1-2H3
InChIKeyOFJFOGOQEBJCPR-UHFFFAOYSA-N
XLogP2.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 56780360
N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 56906535
(1S)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 132310161
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 132359707
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 164639692
2-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL)thiazole
CID 22288373
2-(4-Fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole
CID 71055506
2-(4-Fluoro-1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 89147293
2-(4-Fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole
CID 89257125
2-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
CID 91186241
2-[[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole
CID 154128025
2-(1-(2-fluorophenyl)-1H-pyrazol-5-yl)thiazole
CID 56956104

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole (CID 82699096) is 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole is CCc1cc(CC)n(Cc2nccs2)n1.
What is the InChIKey of 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is OFJFOGOQEBJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-9-7-10(4-2)14(13-9)8-11-12-5-6-15-11/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 221.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 82699096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).