2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide

C18H23FN4O — CID 75475565

IUPAC2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc2c(n1)C(NCc1cccc(F)c1)CCC2
InChIInChI=1S/C18H23FN4O/c1-22(2)17(24)12-23-11-14-6-4-8-16(18(14)21-23)20-10-13-5-3-7-15(19)9-13/h3,5,7,9,11,16,20H,4,6,8,10,12H2,1-2H3
InChIKeyLKFPNJYJGKOZPG-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.28
Rot. Bonds5

About 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide

2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide (PubChem CID 75475565) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
PubChem CID75475565
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc2c(n1)C(NCc1cccc(F)c1)CCC2
InChIInChI=1S/C18H23FN4O/c1-22(2)17(24)12-23-11-14-6-4-8-16(18(14)21-23)20-10-13-5-3-7-15(19)9-13/h3,5,7,9,11,16,20H,4,6,8,10,12H2,1-2H3
InChIKeyLKFPNJYJGKOZPG-UHFFFAOYSA-N
XLogP2.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide (CID 75475565) is 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc2c(n1)C(NCc1cccc(F)c1)CCC2.
What is the InChIKey of 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is LKFPNJYJGKOZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22(2)17(24)12-23-11-14-6-4-8-16(18(14)21-23)20-10-13-5-3-7-15(19)9-13/h3,5,7,9,11,16,20H,4,6,8,10,12H2,1-2H3.
What are the key properties of 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 330.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 75475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).