1-methyl-3-phenylthieno[3,2-d]pyrazole

C12H10N2S — CID 82017669

IUPAC1-methyl-3-phenylthieno[3,2-d]pyrazole
SMILESCn1nc(-c2ccccc2)c2ccsc21
InChIInChI=1S/C12H10N2S/c1-14-12-10(7-8-15-12)11(13-14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZDQKGJYNWYMMSL-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.30
Rot. Bonds1

About 1-methyl-3-phenylthieno[3,2-d]pyrazole

1-methyl-3-phenylthieno[3,2-d]pyrazole (PubChem CID 82017669) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-methyl-3-phenylthieno[3,2-d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-phenylthieno[3,2-d]pyrazole
PubChem CID82017669
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name1-methyl-3-phenylthieno[3,2-d]pyrazole
SMILESCn1nc(-c2ccccc2)c2ccsc21
InChIInChI=1S/C12H10N2S/c1-14-12-10(7-8-15-12)11(13-14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZDQKGJYNWYMMSL-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylthieno[3,2-d]pyrazole?
The IUPAC name of 1-methyl-3-phenylthieno[3,2-d]pyrazole (CID 82017669) is 1-methyl-3-phenylthieno[3,2-d]pyrazole.
What is the SMILES notation for 1-methyl-3-phenylthieno[3,2-d]pyrazole?
The canonical SMILES for 1-methyl-3-phenylthieno[3,2-d]pyrazole is Cn1nc(-c2ccccc2)c2ccsc21.
What is the InChIKey of 1-methyl-3-phenylthieno[3,2-d]pyrazole?
The InChIKey is ZDQKGJYNWYMMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-14-12-10(7-8-15-12)11(13-14)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-methyl-3-phenylthieno[3,2-d]pyrazole?
1-methyl-3-phenylthieno[3,2-d]pyrazole has a molecular weight of 214.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylthieno[3,2-d]pyrazole is sourced from PubChem (CID 82017669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).