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

C16H15FN4O2 — CID 17228421

IUPACmethyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O2/c1-4-12-13(10-5-7-11(17)8-6-10)15-19-18-14(16(22)23-3)9(2)21(15)20-12/h5-8H,4H2,1-3H3
InChIKeySRHPGLUSVNTPHY-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.59
Rot. Bonds3

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

methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 17228421) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID17228421
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Namemethyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O2/c1-4-12-13(10-5-7-11(17)8-6-10)15-19-18-14(16(22)23-3)9(2)21(15)20-12/h5-8H,4H2,1-3H3
InChIKeySRHPGLUSVNTPHY-UHFFFAOYSA-N
XLogP2.59
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 17228421) is methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1.
What is the InChIKey of methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is SRHPGLUSVNTPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-4-12-13(10-5-7-11(17)8-6-10)15-19-18-14(16(22)23-3)9(2)21(15)20-12/h5-8H,4H2,1-3H3.
What are the key properties of methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethyl-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 17228421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).