1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine

C11H16F3N3O — CID 147846901

IUPAC1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1CCC1CCOCC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)9-7-10(15)17(16-9)4-1-8-2-5-18-6-3-8/h7-8H,1-6,15H2
InChIKeyHUBLKCPDGUWBAD-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine

1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 147846901) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID147846901
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1CCC1CCOCC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)9-7-10(15)17(16-9)4-1-8-2-5-18-6-3-8/h7-8H,1-6,15H2
InChIKeyHUBLKCPDGUWBAD-UHFFFAOYSA-N
XLogP2.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(oxan-4-yl)-1H-pyrazol-5-amine
CID 56604397
2-[[1-(2-Fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine
CID 145427811
5-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine
CID 145427830
N-methyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 149308386
1-(Oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 155247848
N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 155428847
1-(Oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 157041597
1-(Oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 157041934
1-(Cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 157041969
3-Isothiocyanato-1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042148
3-Isothiocyanato-1-(oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042271
1-(Oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 157042391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine (CID 147846901) is 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine is Nc1cc(C(F)(F)F)nn1CCC1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is HUBLKCPDGUWBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)9-7-10(15)17(16-9)4-1-8-2-5-18-6-3-8/h7-8H,1-6,15H2.
What are the key properties of 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 263.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 147846901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).