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

C10H15F3N2O — CID 106802540

IUPAC6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
SMILESCCC(O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-2-8(16)4-3-6-15-7-5-9(14-15)10(11,12)13/h5,7-8,16H,2-4,6H2,1H3
InChIKeyVVDUXBMFWQAYLP-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.45
Rot. Bonds5

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

6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol (PubChem CID 106802540) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
PubChem CID106802540
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
SMILESCCC(O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-2-8(16)4-3-6-15-7-5-9(14-15)10(11,12)13/h5,7-8,16H,2-4,6H2,1H3
InChIKeyVVDUXBMFWQAYLP-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
CID 106800335
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]heptan-2-amine
CID 55088610
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 106810077
methyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 63039948
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol?
The IUPAC name of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol (CID 106802540) is 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol.
What is the SMILES notation for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol?
The canonical SMILES for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol is CCC(O)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol?
The InChIKey is VVDUXBMFWQAYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-8(16)4-3-6-15-7-5-9(14-15)10(11,12)13/h5,7-8,16H,2-4,6H2,1H3.
What are the key properties of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol?
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol has a molecular weight of 236.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 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-ol is sourced from PubChem (CID 106802540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).