3-(2-methylphenyl)-1-thiophen-2-ylpyrazole

C14H12N2S — CID 140702602

IUPAC3-(2-methylphenyl)-1-thiophen-2-ylpyrazole
SMILESCc1ccccc1-c1ccn(-c2cccs2)n1
InChIInChI=1S/C14H12N2S/c1-11-5-2-3-6-12(11)13-8-9-16(15-13)14-7-4-10-17-14/h2-10H,1H3
InChIKeyJRSCXMVCDKVFCC-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds2

About 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole

3-(2-methylphenyl)-1-thiophen-2-ylpyrazole (PubChem CID 140702602) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-thiophen-2-ylpyrazole
PubChem CID140702602
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name3-(2-methylphenyl)-1-thiophen-2-ylpyrazole
SMILESCc1ccccc1-c1ccn(-c2cccs2)n1
InChIInChI=1S/C14H12N2S/c1-11-5-2-3-6-12(11)13-8-9-16(15-13)14-7-4-10-17-14/h2-10H,1H3
InChIKeyJRSCXMVCDKVFCC-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-ylpyrazol-3-amine
CID 70361976
1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole
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6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259
2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 175734660
1-(2-methylthiophen-3-yl)-3-phenylpyrazole
CID 59804975
3-chloro-5-methyl-1-thiophen-2-ylpyrazole
CID 173187505
2-thiophen-2-ylbenzotriazole
CID 658026
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
CID 67822914
CID 67822914
2-(2-methylphenyl)pyridine
CID 144596153
3-(2-methylphenyl)imidazo[1,5-a]pyridin-8-amine
CID 117147163
4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol
CID 838874

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole?
The IUPAC name of 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole (CID 140702602) is 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole?
The canonical SMILES for 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole is Cc1ccccc1-c1ccn(-c2cccs2)n1.
What is the InChIKey of 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole?
The InChIKey is JRSCXMVCDKVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-11-5-2-3-6-12(11)13-8-9-16(15-13)14-7-4-10-17-14/h2-10H,1H3.
What are the key properties of 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole?
3-(2-methylphenyl)-1-thiophen-2-ylpyrazole has a molecular weight of 240.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 140702602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).