N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C20H16ClN5O3 — CID 20953562

IUPACN-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ncn3n2)cc1
InChIInChI=1S/C20H16ClN5O3/c1-29-16-7-5-13(6-8-16)17-10-18-20(28)25(22-12-26(18)24-17)11-19(27)23-15-4-2-3-14(21)9-15/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeySHIXBLXPDLUZJA-UHFFFAOYSA-N
MW409.83 g/mol
LogP2.86
Rot. Bonds5

About N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 20953562) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID20953562
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC NameN-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ncn3n2)cc1
InChIInChI=1S/C20H16ClN5O3/c1-29-16-7-5-13(6-8-16)17-10-18-20(28)25(22-12-26(18)24-17)11-19(27)23-15-4-2-3-14(21)9-15/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeySHIXBLXPDLUZJA-UHFFFAOYSA-N
XLogP2.86
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 20953562) is N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ncn3n2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is SHIXBLXPDLUZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-29-16-7-5-13(6-8-16)17-10-18-20(28)25(22-12-26(18)24-17)11-19(27)23-15-4-2-3-14(21)9-15/h2-10,12H,11H2,1H3,(H,23,27).
What are the key properties of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 409.83 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 20953562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).