N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide

C17H15N3OS2 — CID 3235680

IUPACN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1
InChIInChI=1S/C17H15N3OS2/c1-11-4-6-12(7-5-11)20-16(13-9-22-10-14(13)19-20)18-17(21)15-3-2-8-23-15/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeySOBDWVFMGUCUET-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.24
Rot. Bonds3

About N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide

N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 3235680) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID3235680
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1
InChIInChI=1S/C17H15N3OS2/c1-11-4-6-12(7-5-11)20-16(13-9-22-10-14(13)19-20)18-17(21)15-3-2-8-23-15/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeySOBDWVFMGUCUET-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (CID 3235680) is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is SOBDWVFMGUCUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-11-4-6-12(7-5-11)20-16(13-9-22-10-14(13)19-20)18-17(21)15-3-2-8-23-15/h2-8H,9-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3235680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).