[5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol

C10H16F3N3O — CID 55010533

IUPAC[5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCN(CC(F)(F)F)c1c(CO)c(C)nn1C
InChIInChI=1S/C10H16F3N3O/c1-4-16(6-10(11,12)13)9-8(5-17)7(2)14-15(9)3/h17H,4-6H2,1-3H3
InChIKeyBANCFXYVKFXIGV-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.61
Rot. Bonds4

About [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol

[5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 55010533) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID55010533
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name[5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCN(CC(F)(F)F)c1c(CO)c(C)nn1C
InChIInChI=1S/C10H16F3N3O/c1-4-16(6-10(11,12)13)9-8(5-17)7(2)14-15(9)3/h17H,4-6H2,1-3H3
InChIKeyBANCFXYVKFXIGV-UHFFFAOYSA-N
XLogP1.61
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol (CID 55010533) is [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol is CCN(CC(F)(F)F)c1c(CO)c(C)nn1C.
What is the InChIKey of [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is BANCFXYVKFXIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-4-16(6-10(11,12)13)9-8(5-17)7(2)14-15(9)3/h17H,4-6H2,1-3H3.
What are the key properties of [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
[5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 251.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 55010533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).