N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide

C19H24ClF3N4O2 — CID 87330519

IUPACN-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide
SMILESCn1ncc(Cl)c1-c1cc(N(CC(C)(C)C)C(=O)C(F)(F)F)ccc1OCCN
InChIInChI=1S/C19H24ClF3N4O2/c1-18(2,3)11-27(17(28)19(21,22)23)12-5-6-15(29-8-7-24)13(9-12)16-14(20)10-25-26(16)4/h5-6,9-10H,7-8,11,24H2,1-4H3
InChIKeyCPQOAEBQRKGMEH-UHFFFAOYSA-N
MW432.87 g/mol
LogP4.02
Rot. Bonds6

About N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide

N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide (PubChem CID 87330519) has the molecular formula C19H24ClF3N4O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide
PubChem CID87330519
Molecular FormulaC19H24ClF3N4O2
Molecular Weight432.87 g/mol
Exact Mass432.15
IUPAC NameN-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide
SMILESCn1ncc(Cl)c1-c1cc(N(CC(C)(C)C)C(=O)C(F)(F)F)ccc1OCCN
InChIInChI=1S/C19H24ClF3N4O2/c1-18(2,3)11-27(17(28)19(21,22)23)12-5-6-15(29-8-7-24)13(9-12)16-14(20)10-25-26(16)4/h5-6,9-10H,7-8,11,24H2,1-4H3
InChIKeyCPQOAEBQRKGMEH-UHFFFAOYSA-N
XLogP4.02
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide (CID 87330519) is N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide is Cn1ncc(Cl)c1-c1cc(N(CC(C)(C)C)C(=O)C(F)(F)F)ccc1OCCN.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
The InChIKey is CPQOAEBQRKGMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF3N4O2/c1-18(2,3)11-27(17(28)19(21,22)23)12-5-6-15(29-8-7-24)13(9-12)16-14(20)10-25-26(16)4/h5-6,9-10H,7-8,11,24H2,1-4H3.
What are the key properties of N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide has a molecular weight of 432.87 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-N-(2,2-dimethylpropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87330519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).