2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

C13H22F3N3O — CID 106810077

IUPAC2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCNC(CC)(CO)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H22F3N3O/c1-3-12(10-20,17-4-2)7-5-8-19-9-6-11(18-19)13(14,15)16/h6,9,17,20H,3-5,7-8,10H2,1-2H3
InChIKeyVDQXSJMDTAZISO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.43
Rot. Bonds8

About 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 106810077) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID106810077
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCNC(CC)(CO)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H22F3N3O/c1-3-12(10-20,17-4-2)7-5-8-19-9-6-11(18-19)13(14,15)16/h6,9,17,20H,3-5,7-8,10H2,1-2H3
InChIKeyVDQXSJMDTAZISO-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentanenitrile
CID 106804164
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
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
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
CID 106800335
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809977
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
CID 62566934
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]heptan-2-amine
CID 55088610

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 106810077) is 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CCNC(CC)(CO)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is VDQXSJMDTAZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-3-12(10-20,17-4-2)7-5-8-19-9-6-11(18-19)13(14,15)16/h6,9,17,20H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 293.33 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 106810077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).