1-phenyl-4-thiophen-3-ylpyrazole

C13H10N2S — CID 78210279

IUPAC1-phenyl-4-thiophen-3-ylpyrazole
SMILESc1ccc(-n2cc(-c3ccsc3)cn2)cc1
InChIInChI=1S/C13H10N2S/c1-2-4-13(5-3-1)15-9-12(8-14-15)11-6-7-16-10-11/h1-10H
InChIKeyPXRYBEYYENIYBG-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.60
Rot. Bonds2

About 1-phenyl-4-thiophen-3-ylpyrazole

1-phenyl-4-thiophen-3-ylpyrazole (PubChem CID 78210279) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-phenyl-4-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name1-phenyl-4-thiophen-3-ylpyrazole
PubChem CID78210279
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name1-phenyl-4-thiophen-3-ylpyrazole
SMILESc1ccc(-n2cc(-c3ccsc3)cn2)cc1
InChIInChI=1S/C13H10N2S/c1-2-4-13(5-3-1)15-9-12(8-14-15)11-6-7-16-10-11/h1-10H
InChIKeyPXRYBEYYENIYBG-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443
1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 95477004
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
2-(4-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121213998
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
CID 143877743
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-thiophen-3-ylpyrazole?
The IUPAC name of 1-phenyl-4-thiophen-3-ylpyrazole (CID 78210279) is 1-phenyl-4-thiophen-3-ylpyrazole.
What is the SMILES notation for 1-phenyl-4-thiophen-3-ylpyrazole?
The canonical SMILES for 1-phenyl-4-thiophen-3-ylpyrazole is c1ccc(-n2cc(-c3ccsc3)cn2)cc1.
What is the InChIKey of 1-phenyl-4-thiophen-3-ylpyrazole?
The InChIKey is PXRYBEYYENIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-4-13(5-3-1)15-9-12(8-14-15)11-6-7-16-10-11/h1-10H.
What are the key properties of 1-phenyl-4-thiophen-3-ylpyrazole?
1-phenyl-4-thiophen-3-ylpyrazole has a molecular weight of 226.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-thiophen-3-ylpyrazole is sourced from PubChem (CID 78210279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).