N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C18H22F3N3O2 — CID 4764936

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCn1cc(C(C)NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)n1
InChIInChI=1S/C18H22F3N3O2/c1-4-24-9-16(13(3)23-24)12(2)22-17(25)15-7-5-14(6-8-15)10-26-11-18(19,20)21/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)
InChIKeyTZASQBLBQRTIQP-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.78
Rot. Bonds7

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 4764936) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID4764936
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCn1cc(C(C)NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)n1
InChIInChI=1S/C18H22F3N3O2/c1-4-24-9-16(13(3)23-24)12(2)22-17(25)15-7-5-14(6-8-15)10-26-11-18(19,20)21/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)
InChIKeyTZASQBLBQRTIQP-UHFFFAOYSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 4764936) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is CCn1cc(C(C)NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is TZASQBLBQRTIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-4-24-9-16(13(3)23-24)12(2)22-17(25)15-7-5-14(6-8-15)10-26-11-18(19,20)21/h5-9,12H,4,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 369.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 4764936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).