2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol

C18H22N4OS — CID 75429650

IUPAC2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCCCc1ccc(-c2cc(NCc3cncs3)n(CCO)n2)cc1
InChIInChI=1S/C18H22N4OS/c1-2-3-14-4-6-15(7-5-14)17-10-18(22(21-17)8-9-23)20-12-16-11-19-13-24-16/h4-7,10-11,13,20,23H,2-3,8-9,12H2,1H3
InChIKeyRCFLYAWKKRVZHK-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.56
Rot. Bonds8

About 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol

2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol (PubChem CID 75429650) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol
PubChem CID75429650
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCCCc1ccc(-c2cc(NCc3cncs3)n(CCO)n2)cc1
InChIInChI=1S/C18H22N4OS/c1-2-3-14-4-6-15(7-5-14)17-10-18(22(21-17)8-9-23)20-12-16-11-19-13-24-16/h4-7,10-11,13,20,23H,2-3,8-9,12H2,1H3
InChIKeyRCFLYAWKKRVZHK-UHFFFAOYSA-N
XLogP3.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol (CID 75429650) is 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol is CCCc1ccc(-c2cc(NCc3cncs3)n(CCO)n2)cc1.
What is the InChIKey of 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol?
The InChIKey is RCFLYAWKKRVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-2-3-14-4-6-15(7-5-14)17-10-18(22(21-17)8-9-23)20-12-16-11-19-13-24-16/h4-7,10-11,13,20,23H,2-3,8-9,12H2,1H3.
What are the key properties of 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol?
2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol has a molecular weight of 342.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 75429650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).