1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine

C14H16F3N3O — CID 117216709

IUPAC1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCC(C)n1ncc(COc2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C14H16F3N3O/c1-9(2)20-13(18)10(7-19-20)8-21-12-6-4-3-5-11(12)14(15,16)17/h3-7,9H,8,18H2,1-2H3
InChIKeyPGJMIMIOWVMDLM-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.64
Rot. Bonds4

About 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine

1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (PubChem CID 117216709) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
PubChem CID117216709
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCC(C)n1ncc(COc2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C14H16F3N3O/c1-9(2)20-13(18)10(7-19-20)8-21-12-6-4-3-5-11(12)14(15,16)17/h3-7,9H,8,18H2,1-2H3
InChIKeyPGJMIMIOWVMDLM-UHFFFAOYSA-N
XLogP3.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216723
4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 115069507
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
1-propan-2-yl-5-(trifluoromethyl)-N-[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 52833776
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1,4-dimethyl-3-[[2-(trifluoromethyl)phenoxy]methyl]indole
CID 117184553
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 106994341
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The IUPAC name of 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (CID 117216709) is 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.
What is the SMILES notation for 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The canonical SMILES for 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is CC(C)n1ncc(COc2ccccc2C(F)(F)F)c1N.
What is the InChIKey of 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The InChIKey is PGJMIMIOWVMDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9(2)20-13(18)10(7-19-20)8-21-12-6-4-3-5-11(12)14(15,16)17/h3-7,9H,8,18H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine has a molecular weight of 299.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is sourced from PubChem (CID 117216709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).