1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C10H17F3N4O — CID 55006693

IUPAC1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCN(CC(O)Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-2-16(7-10(11,12)13)5-9(18)6-17-4-8(14)3-15-17/h3-4,9,18H,2,5-7,14H2,1H3
InChIKeyZGQQACUHGGCOHC-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.71
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 55006693) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID55006693
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCN(CC(O)Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-2-16(7-10(11,12)13)5-9(18)6-17-4-8(14)3-15-17/h3-4,9,18H,2,5-7,14H2,1H3
InChIKeyZGQQACUHGGCOHC-UHFFFAOYSA-N
XLogP0.71
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 55006693) is 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CCN(CC(O)Cn1cc(N)cn1)CC(F)(F)F.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is ZGQQACUHGGCOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-2-16(7-10(11,12)13)5-9(18)6-17-4-8(14)3-15-17/h3-4,9,18H,2,5-7,14H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 266.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 55006693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).