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

C24H21N3O4 — CID 22176854

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)c3cc(CC(=O)Nc4cc(C5CC5)[nH]n4)ccc3o2)cc1
InChIInChI=1S/C24H21N3O4/c1-30-17-7-5-16(6-8-17)22-13-20(28)18-10-14(2-9-21(18)31-22)11-24(29)25-23-12-19(26-27-23)15-3-4-15/h2,5-10,12-13,15H,3-4,11H2,1H3,(H2,25,26,27,29)
InChIKeyJOWJJVXJDUGNBJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.25
Rot. Bonds6

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (PubChem CID 22176854) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
PubChem CID22176854
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)c3cc(CC(=O)Nc4cc(C5CC5)[nH]n4)ccc3o2)cc1
InChIInChI=1S/C24H21N3O4/c1-30-17-7-5-16(6-8-17)22-13-20(28)18-10-14(2-9-21(18)31-22)11-24(29)25-23-12-19(26-27-23)15-3-4-15/h2,5-10,12-13,15H,3-4,11H2,1H3,(H2,25,26,27,29)
InChIKeyJOWJJVXJDUGNBJ-UHFFFAOYSA-N
XLogP4.25
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.25
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-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (CID 22176854) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is COc1ccc(-c2cc(=O)c3cc(CC(=O)Nc4cc(C5CC5)[nH]n4)ccc3o2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The InChIKey is JOWJJVXJDUGNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-17-7-5-16(6-8-17)22-13-20(28)18-10-14(2-9-21(18)31-22)11-24(29)25-23-12-19(26-27-23)15-3-4-15/h2,5-10,12-13,15H,3-4,11H2,1H3,(H2,25,26,27,29).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.25, 6 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-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is sourced from PubChem (CID 22176854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).