ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C23H24N4O2 — CID 17228419

IUPACethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCCc1c(C(=O)OCC)nnc2c(-c3cccc4ccccc34)c(CC)nn12
InChIInChI=1S/C23H24N4O2/c1-4-10-19-21(23(28)29-6-3)24-25-22-20(18(5-2)26-27(19)22)17-14-9-12-15-11-7-8-13-16(15)17/h7-9,11-14H,4-6,10H2,1-3H3
InChIKeyZAWDLBVPADQTOH-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.64
Rot. Bonds6

About ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 17228419) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID17228419
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Nameethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCCc1c(C(=O)OCC)nnc2c(-c3cccc4ccccc34)c(CC)nn12
InChIInChI=1S/C23H24N4O2/c1-4-10-19-21(23(28)29-6-3)24-25-22-20(18(5-2)26-27(19)22)17-14-9-12-15-11-7-8-13-16(15)17/h7-9,11-14H,4-6,10H2,1-3H3
InChIKeyZAWDLBVPADQTOH-UHFFFAOYSA-N
XLogP4.64
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228425
ethyl 7-(methoxymethyl)-8-phenyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 29264820
ethyl 4-methyl-8-naphthalen-1-yl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035687
ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-7-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228365
ethyl 4-amino-7-ethyl-8-(2-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17190398
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 3-(2,6-dimethylphenyl)-2,6-dimethyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 167337518
ethyl 8-(4-chlorophenyl)-7-ethyl-4-[(4-methylphenyl)sulfanylmethyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035637
ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 16585334
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
ethyl 4,5-dinaphthalen-1-yl-3,6-bis(trifluoromethyl)pyridine-2-carboxylate
CID 135030027
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 17228419) is ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCCc1c(C(=O)OCC)nnc2c(-c3cccc4ccccc34)c(CC)nn12.
What is the InChIKey of ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is ZAWDLBVPADQTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-10-19-21(23(28)29-6-3)24-25-22-20(18(5-2)26-27(19)22)17-14-9-12-15-11-7-8-13-16(15)17/h7-9,11-14H,4-6,10H2,1-3H3.
What are the key properties of ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 17228419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).