1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol

C15H14N2OS — CID 105089447

IUPAC1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14N2OS/c18-15(10-12-7-9-19-11-12)14-6-8-17(16-14)13-4-2-1-3-5-13/h1-9,11,15,18H,10H2
InChIKeyPGNGVDYYKHGNCV-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.21
Rot. Bonds4

About 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol

1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol (PubChem CID 105089447) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
PubChem CID105089447
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14N2OS/c18-15(10-12-7-9-19-11-12)14-6-8-17(16-14)13-4-2-1-3-5-13/h1-9,11,15,18H,10H2
InChIKeyPGNGVDYYKHGNCV-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115204
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone
CID 105091060
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
CID 107361942
[1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324589
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 107361673
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
CID 65148023
furan-2-yl-(1-phenylpyrazol-3-yl)methanol
CID 105097286
3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
CID 63083411
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105089506

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol (CID 105089447) is 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol?
The InChIKey is PGNGVDYYKHGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15(10-12-7-9-19-11-12)14-6-8-17(16-14)13-4-2-1-3-5-13/h1-9,11,15,18H,10H2.
What are the key properties of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol?
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol has a molecular weight of 270.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105089447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).