prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C22H20N4O2 — CID 17228425

IUPACprop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESC=CCOC(=O)c1nnc2c(-c3cccc4ccccc34)c(CC)nn2c1C
InChIInChI=1S/C22H20N4O2/c1-4-13-28-22(27)20-14(3)26-21(24-23-20)19(18(5-2)25-26)17-12-8-10-15-9-6-7-11-16(15)17/h4,6-12H,1,5,13H2,2-3H3
InChIKeyJHQQKJQHSGNRPD-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.16
Rot. Bonds5

About prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 17228425) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID17228425
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Nameprop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESC=CCOC(=O)c1nnc2c(-c3cccc4ccccc34)c(CC)nn2c1C
InChIInChI=1S/C22H20N4O2/c1-4-13-28-22(27)20-14(3)26-21(24-23-20)19(18(5-2)25-26)17-12-8-10-15-9-6-7-11-16(15)17/h4,6-12H,1,5,13H2,2-3H3
InChIKeyJHQQKJQHSGNRPD-UHFFFAOYSA-N
XLogP4.16
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228419
ethyl 4-methyl-8-naphthalen-1-yl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035687
(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone
CID 16652911
ethyl 4-amino-7-ethyl-8-(2-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17190398
methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228421
ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-7-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228365
ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035686
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
ethyl 4,5-dinaphthalen-1-yl-3,6-bis(trifluoromethyl)pyridine-2-carboxylate
CID 135030027
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 56760870
[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 17121523

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 17228425) is prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is C=CCOC(=O)c1nnc2c(-c3cccc4ccccc34)c(CC)nn2c1C.
What is the InChIKey of prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is JHQQKJQHSGNRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-4-13-28-22(27)20-14(3)26-21(24-23-20)19(18(5-2)25-26)17-12-8-10-15-9-6-7-11-16(15)17/h4,6-12H,1,5,13H2,2-3H3.
What are the key properties of prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 17228425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).