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

C11H8F3N5 — CID 164522408

IUPAC2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole
SMILESCn1nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2n1
InChIInChI=1S/C11H8F3N5/c1-19-17-7-3-2-6(4-9(7)18-19)8-5-10(16-15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeyAPCPFUHRMZJLQS-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.38
Rot. Bonds1

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

2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole (PubChem CID 164522408) has the molecular formula C11H8F3N5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole
PubChem CID164522408
Molecular FormulaC11H8F3N5
Molecular Weight267.21 g/mol
Exact Mass267.07
IUPAC Name2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole
SMILESCn1nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2n1
InChIInChI=1S/C11H8F3N5/c1-19-17-7-3-2-6(4-9(7)18-19)8-5-10(16-15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeyAPCPFUHRMZJLQS-UHFFFAOYSA-N
XLogP2.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3H-isoindol-1-one
CID 155909232
N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane
CID 143534021
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961
3-(4-propoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142669971
2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314749
methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate
CID 136609734
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
5-tert-butyl-2-methylbenzotriazole
CID 138667853
ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 142088621
dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
CID 175190624
5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole
CID 12640729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole?
The IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole (CID 164522408) is 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole?
The canonical SMILES for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole is Cn1nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2n1.
What is the InChIKey of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole?
The InChIKey is APCPFUHRMZJLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5/c1-19-17-7-3-2-6(4-9(7)18-19)8-5-10(16-15-8)11(12,13)14/h2-5H,1H3,(H,15,16).
What are the key properties of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole?
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole has a molecular weight of 267.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 164522408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).