2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol

C14H16ClF3N4O2 — CID 19775925

IUPAC2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol
SMILESCC(CO)Nc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1N
InChIInChI=1S/C14H16ClF3N4O2/c1-7(6-23)20-10-5-8(3-4-9(10)19)24-13-11(15)12(14(16,17)18)22(2)21-13/h3-5,7,20,23H,6,19H2,1-2H3
InChIKeyLAJOYYIIPYLMLJ-UHFFFAOYSA-N
MW364.76 g/mol
LogP3.26
Rot. Bonds5

About 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol

2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol (PubChem CID 19775925) has the molecular formula C14H16ClF3N4O2 and a molecular weight of 364.76 g/mol. Its IUPAC name is 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol.

Molecular Properties

Compound Name2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol
PubChem CID19775925
Molecular FormulaC14H16ClF3N4O2
Molecular Weight364.76 g/mol
Exact Mass364.09
IUPAC Name2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol
SMILESCC(CO)Nc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1N
InChIInChI=1S/C14H16ClF3N4O2/c1-7(6-23)20-10-5-8(3-4-9(10)19)24-13-11(15)12(14(16,17)18)22(2)21-13/h3-5,7,20,23H,6,19H2,1-2H3
InChIKeyLAJOYYIIPYLMLJ-UHFFFAOYSA-N
XLogP3.26
TPSA85.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-methoxy-N-methyl-2-nitroaniline
CID 15017291
5-Trifluoromethyl-4-chloro-3-(3'-dimethylhydrazino-4'-nitrophenoxy)-1-methylpyrazole
CID 15017292
2-[5-(4-chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-nitrophenylamino]-propane-1-ol
CID 19775941
2-[5-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-nitrophenylamino]propan-1-ol
CID 19775943
[5-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrophenyl]carbamic acid
CID 22159822
2-[5-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitroanilino]acetic acid
CID 22159831
2-[6-(4-chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy) benzotriazol-1-yl]-propan-1-ol
CID 54269281
3-[5-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitroanilino]propanoic acid
CID 70374946
2-[4-chloro-5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chloro-3-methoxyanilino)ethyl]acetamide
CID 143061938
5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitroaniline
CID 149914878
N-[4-(azetidin-3-yloxy)phenyl]-3-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxiran-2-amine
CID 156282453
1-[5-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrophenyl]-2-methylhydrazine
CID 173392370

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol?
The IUPAC name of 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol (CID 19775925) is 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol.
What is the SMILES notation for 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol?
The canonical SMILES for 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol is CC(CO)Nc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1N.
What is the InChIKey of 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol?
The InChIKey is LAJOYYIIPYLMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O2/c1-7(6-23)20-10-5-8(3-4-9(10)19)24-13-11(15)12(14(16,17)18)22(2)21-13/h3-5,7,20,23H,6,19H2,1-2H3.
What are the key properties of 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol?
2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol has a molecular weight of 364.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol is sourced from PubChem (CID 19775925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).