4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine

C11H11F3N4O — CID 19775932

IUPAC4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine
SMILESCn1nc(Oc2ccc(N)c(N)c2)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N4O/c1-18-9(11(12,13)14)5-10(17-18)19-6-2-3-7(15)8(16)4-6/h2-5H,15-16H2,1H3
InChIKeyOVXDQKKSQMUPNX-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.40
Rot. Bonds2

About 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine

4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine (PubChem CID 19775932) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine
PubChem CID19775932
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine
SMILESCn1nc(Oc2ccc(N)c(N)c2)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N4O/c1-18-9(11(12,13)14)5-10(17-18)19-6-2-3-7(15)8(16)4-6/h2-5H,15-16H2,1H3
InChIKeyOVXDQKKSQMUPNX-UHFFFAOYSA-N
XLogP2.40
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Trifluoromethyl-4-chloro-3-(3'-dimethylhydrazino-4'-nitrophenoxy)-1-methylpyrazole
CID 15017292
4-Methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
CID 19067685
4-(4-chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-dinitrobenzene
CID 19775926
4-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-dinitrobenzene
CID 19775929
4-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-dinitrobenzene
CID 19775930
6-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)benzotriazole
CID 19775934
5-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-nitroaniline
CID 19775936
5-(4-Fluorophenoxy)-1,3-dimethylpyrazole
CID 21645987
5-(4-Fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 43554404
1-Methyl-5-phenoxy-3-(trifluoromethyl)pyrazole
CID 53441473
2-Methyl-6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridin-3-amine
CID 58370430
3-Fluoro-5-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)nitrobenzene
CID 69359936

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine?
The IUPAC name of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine (CID 19775932) is 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine.
What is the SMILES notation for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine?
The canonical SMILES for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine is Cn1nc(Oc2ccc(N)c(N)c2)cc1C(F)(F)F.
What is the InChIKey of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine?
The InChIKey is OVXDQKKSQMUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-18-9(11(12,13)14)5-10(17-18)19-6-2-3-7(15)8(16)4-6/h2-5H,15-16H2,1H3.
What are the key properties of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine?
4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine has a molecular weight of 272.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzene-1,2-diamine is sourced from PubChem (CID 19775932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).