(E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide

C20H16FN3OS — CID 6027952

IUPAC(E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C20H16FN3OS/c21-15-7-9-16(10-8-15)24-20(17-12-26-13-18(17)23-24)22-19(25)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,25)/b11-6+
InChIKeyZOUHRUFUDAVHPX-IZZDOVSWSA-N
MW365.43 g/mol
LogP4.41
Rot. Bonds4

About (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide

(E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide (PubChem CID 6027952) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
PubChem CID6027952
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name(E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C20H16FN3OS/c21-15-7-9-16(10-8-15)24-20(17-12-26-13-18(17)23-24)22-19(25)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,25)/b11-6+
InChIKeyZOUHRUFUDAVHPX-IZZDOVSWSA-N
XLogP4.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_55_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
CID 756242
3-methyl-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756245
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 3340822
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4335648
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
CID 4390646
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4462899
2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 4577202
N-[2-(2,4-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
CID 4583155
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5140889
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 5159937
3-methyl-N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butanamide
CID 756241

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide (CID 6027952) is (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide?
The InChIKey is ZOUHRUFUDAVHPX-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H16FN3OS/c21-15-7-9-16(10-8-15)24-20(17-12-26-13-18(17)23-24)22-19(25)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,25)/b11-6+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide?
(E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6027952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).