3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C22H14N4O3S — CID 1288148

IUPAC3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C22H14N4O3S/c27-20(24-22-23-10-11-30-22)17-13-26(15-7-2-1-3-8-15)25-19(17)16-12-14-6-4-5-9-18(14)29-21(16)28/h1-13H,(H,23,24,27)
InChIKeySROFOEJEFXSOHR-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.35
Rot. Bonds4

About 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 1288148) has the molecular formula C22H14N4O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID1288148
Molecular FormulaC22H14N4O3S
Molecular Weight414.45 g/mol
Exact Mass414.08
IUPAC Name3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C22H14N4O3S/c27-20(24-22-23-10-11-30-22)17-13-26(15-7-2-1-3-8-15)25-19(17)16-12-14-6-4-5-9-18(14)29-21(16)28/h1-13H,(H,23,24,27)
InChIKeySROFOEJEFXSOHR-UHFFFAOYSA-N
XLogP4.35
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 1288148) is 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is SROFOEJEFXSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3S/c27-20(24-22-23-10-11-30-22)17-13-26(15-7-2-1-3-8-15)25-19(17)16-12-14-6-4-5-9-18(14)29-21(16)28/h1-13H,(H,23,24,27).
What are the key properties of 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxochromen-3-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 1288148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).