N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide

C23H19N3O2S — CID 5164056

IUPACN-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1cccc3ccccc13)CS(=O)C2
InChIInChI=1S/C23H19N3O2S/c1-15-7-2-5-12-21(15)26-22(19-13-29(28)14-20(19)25-26)24-23(27)18-11-6-9-16-8-3-4-10-17(16)18/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyUQKSNUATYNCFBD-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.35
Rot. Bonds3

About N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide

N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 5164056) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID5164056
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1cccc3ccccc13)CS(=O)C2
InChIInChI=1S/C23H19N3O2S/c1-15-7-2-5-12-21(15)26-22(19-13-29(28)14-20(19)25-26)24-23(27)18-11-6-9-16-8-3-4-10-17(16)18/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyUQKSNUATYNCFBD-UHFFFAOYSA-N
XLogP4.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide (CID 5164056) is N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide is Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc3ccccc13)CS(=O)C2.
What is the InChIKey of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is UQKSNUATYNCFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-15-7-2-5-12-21(15)26-22(19-13-29(28)14-20(19)25-26)24-23(27)18-11-6-9-16-8-3-4-10-17(16)18/h2-12H,13-14H2,1H3,(H,24,27).
What are the key properties of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 5164056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).