1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol

C14H13N3OS — CID 105115204

IUPAC1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c18-13(10-14-15-7-9-19-14)12-6-8-17(16-12)11-4-2-1-3-5-11/h1-9,13,18H,10H2
InChIKeySNMMKXDBIJKMKH-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.60
Rot. Bonds4

About 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol

1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 105115204) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID105115204
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c18-13(10-14-15-7-9-19-14)12-6-8-17(16-12)11-4-2-1-3-5-11/h1-9,13,18H,10H2
InChIKeySNMMKXDBIJKMKH-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324589
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
CID 105089447
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105126317
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
CID 107361942
5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105120552
N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 113224886
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 107361673
1-(5-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79824094
1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 103373619
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol (CID 105115204) is 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol is OC(Cc1nccs1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is SNMMKXDBIJKMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-13(10-14-15-7-9-19-14)12-6-8-17(16-12)11-4-2-1-3-5-11/h1-9,13,18H,10H2.
What are the key properties of 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 271.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 105115204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).