N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide

C14H15F3N4O2 — CID 87330527

IUPACN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCn1nccc1-c1cc(NC(=O)C(F)(F)F)ccc1OCCN
InChIInChI=1S/C14H15F3N4O2/c1-21-11(4-6-19-21)10-8-9(20-13(22)14(15,16)17)2-3-12(10)23-7-5-18/h2-4,6,8H,5,7,18H2,1H3,(H,20,22)
InChIKeyNYMXGEGVMUWDJF-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.93
Rot. Bonds5

About N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 87330527) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID87330527
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC NameN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCn1nccc1-c1cc(NC(=O)C(F)(F)F)ccc1OCCN
InChIInChI=1S/C14H15F3N4O2/c1-21-11(4-6-19-21)10-8-9(20-13(22)14(15,16)17)2-3-12(10)23-7-5-18/h2-4,6,8H,5,7,18H2,1H3,(H,20,22)
InChIKeyNYMXGEGVMUWDJF-UHFFFAOYSA-N
XLogP1.93
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide (CID 87330527) is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide is Cn1nccc1-c1cc(NC(=O)C(F)(F)F)ccc1OCCN.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is NYMXGEGVMUWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-21-11(4-6-19-21)10-8-9(20-13(22)14(15,16)17)2-3-12(10)23-7-5-18/h2-4,6,8H,5,7,18H2,1H3,(H,20,22).
What are the key properties of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 328.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).