1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine

C10H14F3N3O — CID 157041597

IUPAC1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1CC1CCOCC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-9(14)16(15-8)6-7-1-3-17-4-2-7/h5,7H,1-4,6,14H2
InChIKeySTSJBXSWPGFDNA-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.91
Rot. Bonds2

About 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine

1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 157041597) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID157041597
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1CC1CCOCC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-9(14)16(15-8)6-7-1-3-17-4-2-7/h5,7H,1-4,6,14H2
InChIKeySTSJBXSWPGFDNA-UHFFFAOYSA-N
XLogP1.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.91
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-(2,2-Dimethyloxan-4-yl)-5-methylpyrazol-3-amine
CID 2938587
5-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine
CID 145427830
1-[2-(Oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 147846901
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-(2-Oxaspiro[3.3]heptan-6-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 157041487
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

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 157041597) is 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine is Nc1cc(C(F)(F)F)nn1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is STSJBXSWPGFDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8-5-9(14)16(15-8)6-7-1-3-17-4-2-7/h5,7H,1-4,6,14H2.
What are the key properties of 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 249.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 157041597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).