4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole

C13H17N3S — CID 156761927

IUPAC4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole
SMILESCCc1cc(-c2cscn2)n(C2CCCC2)n1
InChIInChI=1S/C13H17N3S/c1-2-10-7-13(12-8-17-9-14-12)16(15-10)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyUOCMKSAUKPBSSN-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.68
Rot. Bonds3

About 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole

4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole (PubChem CID 156761927) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole
PubChem CID156761927
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole
SMILESCCc1cc(-c2cscn2)n(C2CCCC2)n1
InChIInChI=1S/C13H17N3S/c1-2-10-7-13(12-8-17-9-14-12)16(15-10)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyUOCMKSAUKPBSSN-UHFFFAOYSA-N
XLogP3.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole (CID 156761927) is 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole is CCc1cc(-c2cscn2)n(C2CCCC2)n1.
What is the InChIKey of 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole?
The InChIKey is UOCMKSAUKPBSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-10-7-13(12-8-17-9-14-12)16(15-10)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole?
4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole has a molecular weight of 247.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 156761927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).