N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide

C15H13F3N6O — CID 46996351

IUPACN-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
SMILESCn1ncc(NC(=O)Cn2ccc(-c3ccccc3C(F)(F)F)n2)n1
InChIInChI=1S/C15H13F3N6O/c1-23-19-8-13(22-23)20-14(25)9-24-7-6-12(21-24)10-4-2-3-5-11(10)15(16,17)18/h2-8H,9H2,1H3,(H,20,22,25)
InChIKeyIFXPNJVEPXPCBD-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.34
Rot. Bonds4

About N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide

N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide (PubChem CID 46996351) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
PubChem CID46996351
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC NameN-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
SMILESCn1ncc(NC(=O)Cn2ccc(-c3ccccc3C(F)(F)F)n2)n1
InChIInChI=1S/C15H13F3N6O/c1-23-19-8-13(22-23)20-14(25)9-24-7-6-12(21-24)10-4-2-3-5-11(10)15(16,17)18/h2-8H,9H2,1H3,(H,20,22,25)
InChIKeyIFXPNJVEPXPCBD-UHFFFAOYSA-N
XLogP2.34
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
2-[3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]pyrazol-1-yl]acetic acid
CID 119231077
N-(2-ethyltriazol-4-yl)-2-[3-(3-methylpyrazin-2-yl)pyrazol-1-yl]acetamide
CID 46989829
N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
CID 68643513
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 46997061
2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide
CID 46991901
[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid
CID 123391936
3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
CID 112535330
N-[2-(1-phenylethyl)pyrazol-3-yl]-2-(3-pyridin-3-ylpyrazol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 154886751
1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 56787636
methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
CID 46988642

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide (CID 46996351) is N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide is Cn1ncc(NC(=O)Cn2ccc(-c3ccccc3C(F)(F)F)n2)n1.
What is the InChIKey of N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The InChIKey is IFXPNJVEPXPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-23-19-8-13(22-23)20-14(25)9-24-7-6-12(21-24)10-4-2-3-5-11(10)15(16,17)18/h2-8H,9H2,1H3,(H,20,22,25).
What are the key properties of N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide has a molecular weight of 350.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 46996351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).