2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide

C19H19F3N6O — CID 146045119

IUPAC2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(-c2cc(C3CC3)n(C)n2)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H19F3N6O/c1-23-17(29)10-16-24-18(14-9-15(11-3-4-11)27(2)25-14)28(26-16)13-7-5-12(6-8-13)19(20,21)22/h5-9,11H,3-4,10H2,1-2H3,(H,23,29)
InChIKeyDKCZPCSZXXETQJ-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.85
Rot. Bonds5

About 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide

2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide (PubChem CID 146045119) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide
PubChem CID146045119
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(-c2cc(C3CC3)n(C)n2)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H19F3N6O/c1-23-17(29)10-16-24-18(14-9-15(11-3-4-11)27(2)25-14)28(26-16)13-7-5-12(6-8-13)19(20,21)22/h5-9,11H,3-4,10H2,1-2H3,(H,23,29)
InChIKeyDKCZPCSZXXETQJ-UHFFFAOYSA-N
XLogP2.85
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid
CID 154924086
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 146045366
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833
2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide
CID 141113132
4-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperidin-3-yl)-1,2,4-triazol-1-yl]benzonitrile
CID 146042921
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
2-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155507538
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-4-ylacetamide
CID 58242945
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
CID 134377497
4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
CID 118167040
2,2,2-trifluoro-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130388018
[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate
CID 155945824

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide (CID 146045119) is 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide is CNC(=O)Cc1nc(-c2cc(C3CC3)n(C)n2)n(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The InChIKey is DKCZPCSZXXETQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-23-17(29)10-16-24-18(14-9-15(11-3-4-11)27(2)25-14)28(26-16)13-7-5-12(6-8-13)19(20,21)22/h5-9,11H,3-4,10H2,1-2H3,(H,23,29).
What are the key properties of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide has a molecular weight of 404.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 146045119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).