2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

C14H24F3N3O — CID 106809999

IUPAC2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCC(CO)(CCCn1cc(C(F)(F)F)cn1)NC(C)C
InChIInChI=1S/C14H24F3N3O/c1-4-13(10-21,19-11(2)3)6-5-7-20-9-12(8-18-20)14(15,16)17/h8-9,11,19,21H,4-7,10H2,1-3H3
InChIKeyKPWKZLYOWYBBHN-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.82
Rot. Bonds8

About 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 106809999) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID106809999
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCC(CO)(CCCn1cc(C(F)(F)F)cn1)NC(C)C
InChIInChI=1S/C14H24F3N3O/c1-4-13(10-21,19-11(2)3)6-5-7-20-9-12(8-18-20)14(15,16)17/h8-9,11,19,21H,4-7,10H2,1-3H3
InChIKeyKPWKZLYOWYBBHN-UHFFFAOYSA-N
XLogP2.82
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-Trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 122154384
1-[[2,2,2-Trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol
CID 136571882
2-(1-Methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046760
2-Methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64176950
2-methyl-N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 64177307
2-(Ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64177639
2-Methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64177792
2-Methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64177959
5-[4-(Trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64178288
N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 64178322
N-methyl-1-[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
CID 64178673
3-[4-(Trifluoromethyl)pyrazol-1-yl]heptan-4-ol
CID 64178821

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 106809999) is 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CCC(CO)(CCCn1cc(C(F)(F)F)cn1)NC(C)C.
What is the InChIKey of 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is KPWKZLYOWYBBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-4-13(10-21,19-11(2)3)6-5-7-20-9-12(8-18-20)14(15,16)17/h8-9,11,19,21H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 307.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 106809999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).