3-methyl-1,5-diphenylthieno[3,2-d]pyrazole

C18H14N2S — CID 101454475

IUPAC3-methyl-1,5-diphenylthieno[3,2-d]pyrazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H14N2S/c1-13-16-12-17(14-8-4-2-5-9-14)21-18(16)20(19-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyNDURSUMOSFELLT-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.06
Rot. Bonds2

About 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole

3-methyl-1,5-diphenylthieno[3,2-d]pyrazole (PubChem CID 101454475) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole.

Molecular Properties

Compound Name3-methyl-1,5-diphenylthieno[3,2-d]pyrazole
PubChem CID101454475
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name3-methyl-1,5-diphenylthieno[3,2-d]pyrazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H14N2S/c1-13-16-12-17(14-8-4-2-5-9-14)21-18(16)20(19-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyNDURSUMOSFELLT-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 139217553
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 50789471
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 50789601
2-[[4-ethyl-5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 653859
2-[[5-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 6972409
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
[(1R)-1-cyanoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2553537
N-[(E)-benzylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 6882686
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole?
The IUPAC name of 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole (CID 101454475) is 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole.
What is the SMILES notation for 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole?
The canonical SMILES for 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole is Cc1nn(-c2ccccc2)c2sc(-c3ccccc3)cc12.
What is the InChIKey of 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole?
The InChIKey is NDURSUMOSFELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-13-16-12-17(14-8-4-2-5-9-14)21-18(16)20(19-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole?
3-methyl-1,5-diphenylthieno[3,2-d]pyrazole has a molecular weight of 290.39 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenylthieno[3,2-d]pyrazole is sourced from PubChem (CID 101454475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).