N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide

C12H12F3N3O — CID 10378475

IUPACN-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H12F3N3O/c1-2-3-10(19)16-11-8-6-7(12(13,14)15)4-5-9(8)17-18-11/h4-6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyKMLYPARSMRZOSW-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.32
Rot. Bonds3

About N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide

N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide (PubChem CID 10378475) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide
PubChem CID10378475
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H12F3N3O/c1-2-3-10(19)16-11-8-6-7(12(13,14)15)4-5-9(8)17-18-11/h4-6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyKMLYPARSMRZOSW-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide (CID 10378475) is N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
The InChIKey is KMLYPARSMRZOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-3-10(19)16-11-8-6-7(12(13,14)15)4-5-9(8)17-18-11/h4-6H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide?
N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide has a molecular weight of 271.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 10378475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).