N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H18F3N5O — CID 19531028

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1nccc1CN(C)C(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3N5O/c1-4-21-11(5-6-18-21)8-20(3)13(23)9-22-10(2)7-12(19-22)14(15,16)17/h5-7H,4,8-9H2,1-3H3
InChIKeyTUUYQLMZKQENPP-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.09
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19531028) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19531028
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1nccc1CN(C)C(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3N5O/c1-4-21-11(5-6-18-21)8-20(3)13(23)9-22-10(2)7-12(19-22)14(15,16)17/h5-7H,4,8-9H2,1-3H3
InChIKeyTUUYQLMZKQENPP-UHFFFAOYSA-N
XLogP2.09
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
1-[2-[(2-ethylpyrazol-3-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624221
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19454341
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1261087
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478689
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19452152
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487077
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19460602
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536002
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19531028) is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCn1nccc1CN(C)C(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is TUUYQLMZKQENPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-4-21-11(5-6-18-21)8-20(3)13(23)9-22-10(2)7-12(19-22)14(15,16)17/h5-7H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 329.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19531028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).