N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide

C24H21N3O4 — CID 91395682

IUPACN-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)c3cc(CC(=O)Nn4nccc4C4CC4)ccc3o2)cc1
InChIInChI=1S/C24H21N3O4/c1-30-18-7-5-17(6-8-18)23-14-21(28)19-12-15(2-9-22(19)31-23)13-24(29)26-27-20(10-11-25-27)16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,26,29)
InChIKeyDISITMVOFLXRBX-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.86
Rot. Bonds6

About N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide

N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (PubChem CID 91395682) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
PubChem CID91395682
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)c3cc(CC(=O)Nn4nccc4C4CC4)ccc3o2)cc1
InChIInChI=1S/C24H21N3O4/c1-30-18-7-5-17(6-8-18)23-14-21(28)19-12-15(2-9-22(19)31-23)13-24(29)26-27-20(10-11-25-27)16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,26,29)
InChIKeyDISITMVOFLXRBX-UHFFFAOYSA-N
XLogP3.86
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The IUPAC name of N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (CID 91395682) is N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The canonical SMILES for N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is COc1ccc(-c2cc(=O)c3cc(CC(=O)Nn4nccc4C4CC4)ccc3o2)cc1.
What is the InChIKey of N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The InChIKey is DISITMVOFLXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-18-7-5-17(6-8-18)23-14-21(28)19-12-15(2-9-22(19)31-23)13-24(29)26-27-20(10-11-25-27)16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,26,29).
What are the key properties of N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylpyrazol-1-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is sourced from PubChem (CID 91395682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).