2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C19H16N4O3S — CID 7484062

IUPAC2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C19H16N4O3S/c24-18(10-13-6-8-15(9-7-13)23(25)26)20-19-16-11-27-12-17(16)21-22(19)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,24)
InChIKeyIEVDAPOKLQECDT-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 7484062) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID7484062
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C19H16N4O3S/c24-18(10-13-6-8-15(9-7-13)23(25)26)20-19-16-11-27-12-17(16)21-22(19)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,24)
InChIKeyIEVDAPOKLQECDT-UHFFFAOYSA-N
XLogP3.71
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 7484062) is 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is IEVDAPOKLQECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-18(10-13-6-8-15(9-7-13)23(25)26)20-19-16-11-27-12-17(16)21-22(19)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,24).
What are the key properties of 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 7484062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).