N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C26H23N5O2 — CID 53331112

IUPACN-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCCN(C(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)c1cccc(C)c1
InChIInChI=1S/C26H23N5O2/c1-3-29(20-11-6-8-18(2)14-20)25(32)16-30-26(33)24-15-23(28-31(24)17-27-30)22-13-7-10-19-9-4-5-12-21(19)22/h4-15,17H,3,16H2,1-2H3
InChIKeyQIGGJJBVZXRZJJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.07
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 53331112) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID53331112
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCCN(C(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)c1cccc(C)c1
InChIInChI=1S/C26H23N5O2/c1-3-29(20-11-6-8-18(2)14-20)25(32)16-30-26(33)24-15-23(28-31(24)17-27-30)22-13-7-10-19-9-4-5-12-21(19)22/h4-15,17H,3,16H2,1-2H3
InChIKeyQIGGJJBVZXRZJJ-UHFFFAOYSA-N
XLogP4.07
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-phenylacetamide
CID 53331147
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
CID 45030789
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 53331153
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 61075325
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 121051941
N-ethyl-N-(3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 7422966
N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857665
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(2-chlorophenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53131113
N-benzyl-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-methylacetamide
CID 20953560
2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 53331112) is N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is CCN(C(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is QIGGJJBVZXRZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-3-29(20-11-6-8-18(2)14-20)25(32)16-30-26(33)24-15-23(28-31(24)17-27-30)22-13-7-10-19-9-4-5-12-21(19)22/h4-15,17H,3,16H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 437.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 53331112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).