N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide

C17H19ClF3N3O2 — CID 19450079

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2cccc(COCC(F)(F)F)c2)n1
InChIInChI=1S/C17H19ClF3N3O2/c1-3-24-8-14(18)15(22-24)9-23(2)16(25)13-6-4-5-12(7-13)10-26-11-17(19,20)21/h4-8H,3,9-11H2,1-2H3
InChIKeyWMXNOYNZBSKEJG-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.91
Rot. Bonds7

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 19450079) has the molecular formula C17H19ClF3N3O2 and a molecular weight of 389.81 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID19450079
Molecular FormulaC17H19ClF3N3O2
Molecular Weight389.81 g/mol
Exact Mass389.11
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2cccc(COCC(F)(F)F)c2)n1
InChIInChI=1S/C17H19ClF3N3O2/c1-3-24-8-14(18)15(22-24)9-23(2)16(25)13-6-4-5-12(7-13)10-26-11-17(19,20)21/h4-8H,3,9-11H2,1-2H3
InChIKeyWMXNOYNZBSKEJG-UHFFFAOYSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19451873
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031
1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 19456269
3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19451986
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19407248
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-[(4-nitrophenoxy)methyl]benzamide
CID 19451944
4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278138
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19450097
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide
CID 19332939
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450114
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19398919

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (CID 19450079) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is CCn1cc(Cl)c(CN(C)C(=O)c2cccc(COCC(F)(F)F)c2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is WMXNOYNZBSKEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N3O2/c1-3-24-8-14(18)15(22-24)9-23(2)16(25)13-6-4-5-12(7-13)10-26-11-17(19,20)21/h4-8H,3,9-11H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 389.81 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 19450079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).