4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline

C11H10F3N3O — CID 114273653

IUPAC4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline
SMILESCOc1cnn(-c2ccc(N)cc2C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-18-8-5-16-17(6-8)10-3-2-7(15)4-9(10)11(12,13)14/h2-6H,15H2,1H3
InChIKeyRRTQYBOYNNCLGC-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.48
Rot. Bonds2

About 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline

4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline (PubChem CID 114273653) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline
PubChem CID114273653
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline
SMILESCOc1cnn(-c2ccc(N)cc2C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-18-8-5-16-17(6-8)10-3-2-7(15)4-9(10)11(12,13)14/h2-6H,15H2,1H3
InChIKeyRRTQYBOYNNCLGC-UHFFFAOYSA-N
XLogP2.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
CID 153285852
2-(4-methoxypyrazol-1-yl)aniline
CID 130511077
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
4-(3-bromopyrazol-1-yl)-3-(trifluoromethyl)aniline
CID 129047214
1-(4-fluorophenyl)-4-methoxypyrazole
CID 117229730
4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline
CID 60926562
2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyacetaldehyde
CID 117230074
2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 113392793
4-methoxy-1-(4-methylphenyl)pyrazole
CID 117229729
4-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581
1-N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 79770648
4-(2-ethylimidazol-1-yl)-3-(trifluoromethyl)aniline
CID 61402459

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline (CID 114273653) is 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline is COc1cnn(-c2ccc(N)cc2C(F)(F)F)c1.
What is the InChIKey of 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline?
The InChIKey is RRTQYBOYNNCLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-18-8-5-16-17(6-8)10-3-2-7(15)4-9(10)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline?
4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline has a molecular weight of 257.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrazol-1-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 114273653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).