N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide

C21H17N3O3S — CID 90762987

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide
SMILESO=C(Cc1c(-c2ccsc2)oc2ccccc2c1=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H17N3O3S/c25-19(22-18-10-16(23-24-18)12-5-6-12)9-15-20(26)14-3-1-2-4-17(14)27-21(15)13-7-8-28-11-13/h1-4,7-8,10-12H,5-6,9H2,(H2,22,23,24,25)
InChIKeyVFQQJUBYFYJTPS-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.30
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide (PubChem CID 90762987) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide
PubChem CID90762987
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide
SMILESO=C(Cc1c(-c2ccsc2)oc2ccccc2c1=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H17N3O3S/c25-19(22-18-10-16(23-24-18)12-5-6-12)9-15-20(26)14-3-1-2-4-17(14)27-21(15)13-7-8-28-11-13/h1-4,7-8,10-12H,5-6,9H2,(H2,22,23,24,25)
InChIKeyVFQQJUBYFYJTPS-UHFFFAOYSA-N
XLogP4.30
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide (CID 90762987) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide is O=C(Cc1c(-c2ccsc2)oc2ccccc2c1=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide?
The InChIKey is VFQQJUBYFYJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-19(22-18-10-16(23-24-18)12-5-6-12)9-15-20(26)14-3-1-2-4-17(14)27-21(15)13-7-8-28-11-13/h1-4,7-8,10-12H,5-6,9H2,(H2,22,23,24,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide is sourced from PubChem (CID 90762987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).