2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

C12H20F3N3O — CID 64811078

IUPAC2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H20F3N3O/c1-3-16-11(2,9-19)5-4-6-18-8-10(7-17-18)12(13,14)15/h7-8,16,19H,3-6,9H2,1-2H3
InChIKeyFTEOWSHOSFSXIM-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.04
Rot. Bonds7

About 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 64811078) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID64811078
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H20F3N3O/c1-3-16-11(2,9-19)5-4-6-18-8-10(7-17-18)12(13,14)15/h7-8,16,19H,3-6,9H2,1-2H3
InChIKeyFTEOWSHOSFSXIM-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 64811078) is 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is FTEOWSHOSFSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-3-16-11(2,9-19)5-4-6-18-8-10(7-17-18)12(13,14)15/h7-8,16,19H,3-6,9H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 279.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 64811078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).