6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one

C10H13F3N2O — CID 106801647

IUPAC6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
SMILESCCC(=O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-2-8(16)4-3-6-15-7-5-9(14-15)10(11,12)13/h5,7H,2-4,6H2,1H3
InChIKeyYMTALPWPKRSZKO-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.66
Rot. Bonds5

About 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one

6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one (PubChem CID 106801647) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
PubChem CID106801647
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
SMILESCCC(=O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-2-8(16)4-3-6-15-7-5-9(14-15)10(11,12)13/h5,7H,2-4,6H2,1H3
InChIKeyYMTALPWPKRSZKO-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
CID 106800335
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 106810077
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
methyl 2-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]but-2-enoate
CID 77100733
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one?
The IUPAC name of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one (CID 106801647) is 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one.
What is the SMILES notation for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one?
The canonical SMILES for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one is CCC(=O)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one?
The InChIKey is YMTALPWPKRSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-8(16)4-3-6-15-7-5-9(14-15)10(11,12)13/h5,7H,2-4,6H2,1H3.
What are the key properties of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one?
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one has a molecular weight of 234.22 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one is sourced from PubChem (CID 106801647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).