3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline

C20H27FN4 — CID 145116763

IUPAC3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline
SMILESC=CNc1ccc(F)c(C)c1.CN1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C11H17N3.C9H10FN/c1-14-6-5-10-9(7-14)11(13-12-10)8-3-2-4-8;1-3-11-8-4-5-9(10)7(2)6-8/h8H,2-7H2,1H3,(H,12,13);3-6,11H,1H2,2H3
InChIKeyKPVOJLUOPIVWFG-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.35
Rot. Bonds3

About 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline

3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline (PubChem CID 145116763) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline.

Molecular Properties

Compound Name3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline
PubChem CID145116763
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline
SMILESC=CNc1ccc(F)c(C)c1.CN1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C11H17N3.C9H10FN/c1-14-6-5-10-9(7-14)11(13-12-10)8-3-2-4-8;1-3-11-8-4-5-9(10)7(2)6-8/h8H,2-7H2,1H3,(H,12,13);3-6,11H,1H2,2H3
InChIKeyKPVOJLUOPIVWFG-UHFFFAOYSA-N
XLogP4.35
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline?
The IUPAC name of 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline (CID 145116763) is 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline.
What is the SMILES notation for 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline?
The canonical SMILES for 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline is C=CNc1ccc(F)c(C)c1.CN1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline?
The InChIKey is KPVOJLUOPIVWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C9H10FN/c1-14-6-5-10-9(7-14)11(13-12-10)8-3-2-4-8;1-3-11-8-4-5-9(10)7(2)6-8/h8H,2-7H2,1H3,(H,12,13);3-6,11H,1H2,2H3.
What are the key properties of 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline?
3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline has a molecular weight of 342.46 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline is sourced from PubChem (CID 145116763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).