ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C18H19FN4O2 — CID 17035682

IUPACethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C(C)C)nn2c1C
InChIInChI=1S/C18H19FN4O2/c1-5-25-18(24)16-11(4)23-17(21-20-16)14(15(22-23)10(2)3)12-6-8-13(19)9-7-12/h6-10H,5H2,1-4H3
InChIKeyZXUBDTYUHGNJPG-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.54
Rot. Bonds4

About ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 17035682) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID17035682
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Nameethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C(C)C)nn2c1C
InChIInChI=1S/C18H19FN4O2/c1-5-25-18(24)16-11(4)23-17(21-20-16)14(15(22-23)10(2)3)12-6-8-13(19)9-7-12/h6-10H,5H2,1-4H3
InChIKeyZXUBDTYUHGNJPG-UHFFFAOYSA-N
XLogP3.54
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 17035682) is ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C(C)C)nn2c1C.
What is the InChIKey of ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is ZXUBDTYUHGNJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-5-25-18(24)16-11(4)23-17(21-20-16)14(15(22-23)10(2)3)12-6-8-13(19)9-7-12/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 17035682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).