4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole

C11H15N3S — CID 82700131

IUPAC4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCCc1cc(CC)n(Cc2cscn2)n1
InChIInChI=1S/C11H15N3S/c1-3-9-5-11(4-2)14(13-9)6-10-7-15-8-12-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHHCGEOSRFKBHTC-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.51
Rot. Bonds4

About 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole

4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 82700131) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID82700131
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCCc1cc(CC)n(Cc2cscn2)n1
InChIInChI=1S/C11H15N3S/c1-3-9-5-11(4-2)14(13-9)6-10-7-15-8-12-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHHCGEOSRFKBHTC-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

1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one
CID 115774387
3,5-diethyl-1-propylpyrazole
CID 82699697
5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole
CID 82699222
4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
CID 82692087
5-[(3,5-diethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057590
4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 82700520
[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 82695382
[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 82691975
3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
CID 82698927

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole (CID 82700131) is 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole is CCc1cc(CC)n(Cc2cscn2)n1.
What is the InChIKey of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is HHCGEOSRFKBHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-9-5-11(4-2)14(13-9)6-10-7-15-8-12-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole?
4-[(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 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 82700131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).