4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

C11H10F3N3O — CID 117395726

IUPAC4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-18-6-2-3-7(8-5-16-17-10(8)15)9(4-6)11(12,13)14/h2-5H,1H3,(H3,15,16,17)
InChIKeyNWRZMPQMRQEXKQ-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.69
Rot. Bonds2

About 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117395726) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117395726
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-18-6-2-3-7(8-5-16-17-10(8)15)9(4-6)11(12,13)14/h2-5H,1H3,(H3,15,16,17)
InChIKeyNWRZMPQMRQEXKQ-UHFFFAOYSA-N
XLogP2.69
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol
CID 117390497
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117447752
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117435222
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
4-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]-1H-pyrazol-5-amine
CID 117482121
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol
CID 117359093
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117455217
5-(bromomethyl)-2-[4-methoxy-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyridine
CID 86634142

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine (CID 117395726) is 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine is COc1ccc(-c2cn[nH]c2N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is NWRZMPQMRQEXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-18-6-2-3-7(8-5-16-17-10(8)15)9(4-6)11(12,13)14/h2-5H,1H3,(H3,15,16,17).
What are the key properties of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 257.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117395726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).