N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide

C21H17N3O4 — CID 10292843

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide
SMILESO=C(Cc1ccc2oc(-c3ccoc3)cc(=O)c2c1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H17N3O4/c25-17-10-19(14-5-6-27-11-14)28-18-4-1-12(7-15(17)18)8-21(26)22-20-9-16(23-24-20)13-2-3-13/h1,4-7,9-11,13H,2-3,8H2,(H2,22,23,24,26)
InChIKeyAPTMIQXQOGXJKN-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.83
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide (PubChem CID 10292843) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide
PubChem CID10292843
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide
SMILESO=C(Cc1ccc2oc(-c3ccoc3)cc(=O)c2c1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H17N3O4/c25-17-10-19(14-5-6-27-11-14)28-18-4-1-12(7-15(17)18)8-21(26)22-20-9-16(23-24-20)13-2-3-13/h1,4-7,9-11,13H,2-3,8H2,(H2,22,23,24,26)
InChIKeyAPTMIQXQOGXJKN-UHFFFAOYSA-N
XLogP3.83
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide (CID 10292843) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide is O=C(Cc1ccc2oc(-c3ccoc3)cc(=O)c2c1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide?
The InChIKey is APTMIQXQOGXJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-17-10-19(14-5-6-27-11-14)28-18-4-1-12(7-15(17)18)8-21(26)22-20-9-16(23-24-20)13-2-3-13/h1,4-7,9-11,13H,2-3,8H2,(H2,22,23,24,26).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide has a molecular weight of 375.38 g/mol, XLogP of 3.83, 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-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide is sourced from PubChem (CID 10292843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).