N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide

C17H19ClN4O2S — CID 7424005

IUPACN'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C17H19ClN4O2S/c1-10(2)7-19-16(23)17(24)20-15-13-8-25-9-14(13)21-22(15)12-5-3-11(18)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyODXLRJVPWXZXLW-UHFFFAOYSA-N
MW378.89 g/mol
LogP2.98
Rot. Bonds4

About N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide

N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide (PubChem CID 7424005) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
PubChem CID7424005
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC NameN'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C17H19ClN4O2S/c1-10(2)7-19-16(23)17(24)20-15-13-8-25-9-14(13)21-22(15)12-5-3-11(18)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyODXLRJVPWXZXLW-UHFFFAOYSA-N
XLogP2.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide (CID 7424005) is N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2.
What is the InChIKey of N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
The InChIKey is ODXLRJVPWXZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-10(2)7-19-16(23)17(24)20-15-13-8-25-9-14(13)21-22(15)12-5-3-11(18)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide has a molecular weight of 378.89 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 7424005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).