(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide

C19H17N3O2S — CID 6270782

IUPAC(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)/C=C/c1ccco1)CSC2
InChIInChI=1S/C19H17N3O2S/c1-13-5-2-3-7-17(13)22-19(15-11-25-12-16(15)21-22)20-18(23)9-8-14-6-4-10-24-14/h2-10H,11-12H2,1H3,(H,20,23)/b9-8+
InChIKeyXHAZVTZNGQOSEV-CMDGGOBGSA-N
MW351.43 g/mol
LogP4.17
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide (PubChem CID 6270782) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
PubChem CID6270782
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)/C=C/c1ccco1)CSC2
InChIInChI=1S/C19H17N3O2S/c1-13-5-2-3-7-17(13)22-19(15-11-25-12-16(15)21-22)20-18(23)9-8-14-6-4-10-24-14/h2-10H,11-12H2,1H3,(H,20,23)/b9-8+
InChIKeyXHAZVTZNGQOSEV-CMDGGOBGSA-N
XLogP4.17
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 756305
2-(4-methoxyphenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160308
N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 2160447
4-isopropoxy-N-[2-(4-methylphenyl)-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160486
5-bromo-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 3235687
5-bromo-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 3241356
5-bromo-N-(2-(2,3-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 3243135
N-(2-(2,4-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 3445354
N-(2-(3,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 4073432
N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 5202767
N-[2-(2,3-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-furamide
CID 4244753
N-(2-(4-methoxyphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4452492

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide (CID 6270782) is (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide is Cc1ccccc1-n1nc2c(c1NC(=O)/C=C/c1ccco1)CSC2.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide?
The InChIKey is XHAZVTZNGQOSEV-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-5-2-3-7-17(13)22-19(15-11-25-12-16(15)21-22)20-18(23)9-8-14-6-4-10-24-14/h2-10H,11-12H2,1H3,(H,20,23)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide has a molecular weight of 351.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 6270782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).