N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide

C12H11F4N3O — CID 22319518

IUPACN-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(C(F)(F)F)ccc12
InChIInChI=1S/C12H11F4N3O/c1-2-3-8(20)17-11-6-4-5-7(12(14,15)16)9(13)10(6)18-19-11/h4-5H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyKGZWUYHTQVHCOD-UHFFFAOYSA-N
MW289.23 g/mol
LogP3.46
Rot. Bonds3

About N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide

N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319518) has the molecular formula C12H11F4N3O and a molecular weight of 289.23 g/mol. Its IUPAC name is N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
PubChem CID22319518
Molecular FormulaC12H11F4N3O
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC NameN-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(C(F)(F)F)ccc12
InChIInChI=1S/C12H11F4N3O/c1-2-3-8(20)17-11-6-4-5-7(12(14,15)16)9(13)10(6)18-19-11/h4-5H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyKGZWUYHTQVHCOD-UHFFFAOYSA-N
XLogP3.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide (CID 22319518) is N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2c(F)c(C(F)(F)F)ccc12.
What is the InChIKey of N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
The InChIKey is KGZWUYHTQVHCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3O/c1-2-3-8(20)17-11-6-4-5-7(12(14,15)16)9(13)10(6)18-19-11/h4-5H,2-3H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide has a molecular weight of 289.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).