N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

C23H18N4O2S — CID 2330510

IUPACN'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1cc2ccccc2o1
InChIInChI=1S/C23H18N4O2S/c1-14-18-13-21(30-23(18)27(26-14)17-9-4-3-5-10-17)22(28)25-24-15(2)20-12-16-8-6-7-11-19(16)29-20/h3-13,24H,2H2,1H3,(H,25,28)
InChIKeyPALTVCQEGIFEQI-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.05
Rot. Bonds5

About N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (PubChem CID 2330510) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
PubChem CID2330510
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC NameN'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1cc2ccccc2o1
InChIInChI=1S/C23H18N4O2S/c1-14-18-13-21(30-23(18)27(26-14)17-9-4-3-5-10-17)22(28)25-24-15(2)20-12-16-8-6-7-11-19(16)29-20/h3-13,24H,2H2,1H3,(H,25,28)
InChIKeyPALTVCQEGIFEQI-UHFFFAOYSA-N
XLogP5.05
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The IUPAC name of N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (CID 2330510) is N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is C=C(NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1cc2ccccc2o1.
What is the InChIKey of N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The InChIKey is PALTVCQEGIFEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-14-18-13-21(30-23(18)27(26-14)17-9-4-3-5-10-17)22(28)25-24-15(2)20-12-16-8-6-7-11-19(16)29-20/h3-13,24H,2H2,1H3,(H,25,28).
What are the key properties of N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide has a molecular weight of 414.49 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-benzofuran-2-yl)ethenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 2330510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).