5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine

C11H10F3N3O — CID 117215893

IUPAC5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
SMILESNc1cc(COc2ccccc2C(F)(F)F)[nH]n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-2-4-9(8)18-6-7-5-10(15)17-16-7/h1-5H,6H2,(H3,15,16,17)
InChIKeyBHRIGOQRWRSZKG-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.59
Rot. Bonds3

About 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine

5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine (PubChem CID 117215893) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
PubChem CID117215893
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
SMILESNc1cc(COc2ccccc2C(F)(F)F)[nH]n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-2-4-9(8)18-6-7-5-10(15)17-16-7/h1-5H,6H2,(H3,15,16,17)
InChIKeyBHRIGOQRWRSZKG-UHFFFAOYSA-N
XLogP2.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine
CID 82084486
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117173198
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
2-[[3-(4-phenylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852124
3-phenyl-5-[[3-[2-(trifluoromethyl)phenyl]phenoxy]methyl]-1H-pyrazole
CID 68627254
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852045
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
CID 117187213
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine (CID 117215893) is 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine is Nc1cc(COc2ccccc2C(F)(F)F)[nH]n1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine?
The InChIKey is BHRIGOQRWRSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-2-4-9(8)18-6-7-5-10(15)17-16-7/h1-5H,6H2,(H3,15,16,17).
What are the key properties of 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine?
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine has a molecular weight of 257.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117215893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).