5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole

C11H8F3N5O — CID 19775934

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole
SMILESCn1nc(Oc2ccc3n[nH]nc3c2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N5O/c1-19-9(11(12,13)14)5-10(17-19)20-6-2-3-7-8(4-6)16-18-15-7/h2-5H,1H3,(H,15,16,18)
InChIKeyWXRRFRCHDOZSLJ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.50
Rot. Bonds2

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole (PubChem CID 19775934) has the molecular formula C11H8F3N5O and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole
PubChem CID19775934
Molecular FormulaC11H8F3N5O
Molecular Weight283.21 g/mol
Exact Mass283.07
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole
SMILESCn1nc(Oc2ccc3n[nH]nc3c2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N5O/c1-19-9(11(12,13)14)5-10(17-19)20-6-2-3-7-8(4-6)16-18-15-7/h2-5H,1H3,(H,15,16,18)
InChIKeyWXRRFRCHDOZSLJ-UHFFFAOYSA-N
XLogP2.50
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[4-Bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-1-yl]propan-1-ol
CID 19775928
2-[6-[1,4-Dimethyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-1-yl]propanoic acid
CID 19775931
4-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-phenylenediamine
CID 19775932
Ethyl 2-[6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-1-yl]propanoate
CID 19775935
2-[5-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-2-yl]propanoic acid
CID 19775937
Ethyl 2-[5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-2-yl]propanoate
CID 19775938
2-[6-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-1-yl]propanenitrile
CID 21686198
5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole
CID 21686199
Ethyl 2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-2-yl]propanoate
CID 54124121
2-[6-[4-Bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzotriazol-1-yl]propoxy-tert-butyl-dimethylsilane
CID 54126392
2-[6-(4-chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy) benzotriazol-1-yl]-propan-1-ol
CID 54269281
4-[5-(2-fluoroethoxy)benzotriazol-2-yl]-N,N-dimethylaniline
CID 72264625

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole (CID 19775934) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole is Cn1nc(Oc2ccc3n[nH]nc3c2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole?
The InChIKey is WXRRFRCHDOZSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5O/c1-19-9(11(12,13)14)5-10(17-19)20-6-2-3-7-8(4-6)16-18-15-7/h2-5H,1H3,(H,15,16,18).
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole has a molecular weight of 283.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2H-benzotriazole is sourced from PubChem (CID 19775934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).