N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide

C24H17N3OS — CID 3544807

IUPACN,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1
InChIInChI=1S/C24H17N3OS/c28-23(25-18-12-6-2-7-13-18)21-16-20-22(17-10-4-1-5-11-17)26-27(24(20)29-21)19-14-8-3-9-15-19/h1-16H,(H,25,28)
InChIKeyGCXDMFXMAQFQEP-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.01
Rot. Bonds4

About N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide

N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3544807) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3544807
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC NameN,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1
InChIInChI=1S/C24H17N3OS/c28-23(25-18-12-6-2-7-13-18)21-16-20-22(17-10-4-1-5-11-17)26-27(24(20)29-21)19-14-8-3-9-15-19/h1-16H,(H,25,28)
InChIKeyGCXDMFXMAQFQEP-UHFFFAOYSA-N
XLogP6.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide (CID 3544807) is N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide is O=C(Nc1ccccc1)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1.
What is the InChIKey of N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GCXDMFXMAQFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c28-23(25-18-12-6-2-7-13-18)21-16-20-22(17-10-4-1-5-11-17)26-27(24(20)29-21)19-14-8-3-9-15-19/h1-16H,(H,25,28).
What are the key properties of N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide?
N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-triphenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3544807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).