(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone

C16H12N4OS — CID 678297

IUPAC(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)n3cccn3)cc12
InChIInChI=1S/C16H12N4OS/c1-11-13-10-14(15(21)19-9-5-8-17-19)22-16(13)20(18-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyUPPITRYJLJHVDA-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.28
Rot. Bonds2

About (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone

(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone (PubChem CID 678297) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone
PubChem CID678297
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)n3cccn3)cc12
InChIInChI=1S/C16H12N4OS/c1-11-13-10-14(15(21)19-9-5-8-17-19)22-16(13)20(18-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyUPPITRYJLJHVDA-UHFFFAOYSA-N
XLogP3.28
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone (CID 678297) is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone is Cc1nn(-c2ccccc2)c2sc(C(=O)n3cccn3)cc12.
What is the InChIKey of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone?
The InChIKey is UPPITRYJLJHVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-11-13-10-14(15(21)19-9-5-8-17-19)22-16(13)20(18-11)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone?
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone has a molecular weight of 308.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 678297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).