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

C11H18F3N3O — CID 106809998

IUPAC2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCC(N)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-2-10(15,8-18)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7,18H,2-5,8,15H2,1H3
InChIKeySVMKCKSPZPRPGL-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.78
Rot. Bonds6

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

2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 106809998) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID106809998
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCC(N)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-2-10(15,8-18)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7,18H,2-5,8,15H2,1H3
InChIKeySVMKCKSPZPRPGL-UHFFFAOYSA-N
XLogP1.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 106809998) is 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CCC(N)(CO)CCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is SVMKCKSPZPRPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-10(15,8-18)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7,18H,2-5,8,15H2,1H3.
What are the key properties of 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 265.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 106809998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).