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

C18H17N3OS2 — CID 70905388

IUPACN-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCCc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1
InChIInChI=1S/C18H17N3OS2/c1-2-12-5-7-13(8-6-12)21-17(14-10-23-11-15(14)20-21)19-18(22)16-4-3-9-24-16/h3-9H,2,10-11H2,1H3,(H,19,22)
InChIKeyJTCGLACPGACIFL-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.50
Rot. Bonds4

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

N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 70905388) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID70905388
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCCc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1
InChIInChI=1S/C18H17N3OS2/c1-2-12-5-7-13(8-6-12)21-17(14-10-23-11-15(14)20-21)19-18(22)16-4-3-9-24-16/h3-9H,2,10-11H2,1H3,(H,19,22)
InChIKeyJTCGLACPGACIFL-UHFFFAOYSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (CID 70905388) is N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is CCc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is JTCGLACPGACIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-2-12-5-7-13(8-6-12)21-17(14-10-23-11-15(14)20-21)19-18(22)16-4-3-9-24-16/h3-9H,2,10-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70905388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).