N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H17F3N4O2 — CID 19530985

IUPACN-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCN1CCOCC1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)10-1-3-19(17-10)9-11(20)16-2-4-18-5-7-21-8-6-18/h1,3H,2,4-9H2,(H,16,20)
InChIKeyCCAKHBGKXZRFMP-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.35
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530985) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530985
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCN1CCOCC1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)10-1-3-19(17-10)9-11(20)16-2-4-18-5-7-21-8-6-18/h1,3H,2,4-9H2,(H,16,20)
InChIKeyCCAKHBGKXZRFMP-UHFFFAOYSA-N
XLogP0.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530985) is N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CCAKHBGKXZRFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c13-12(14,15)10-1-3-19(17-10)9-11(20)16-2-4-18-5-7-21-8-6-18/h1,3H,2,4-9H2,(H,16,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 306.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).