2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C13H17F3N6O — CID 118795750

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(N)n(CC(=O)NCCn2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C13H17F3N6O/c1-8-5-11(17)22(19-8)7-12(23)18-3-4-21-9(2)6-10(20-21)13(14,15)16/h5-6H,3-4,7,17H2,1-2H3,(H,18,23)
InChIKeyWAIBDVRZDLRVJR-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.11
Rot. Bonds5

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 118795750) has the molecular formula C13H17F3N6O and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID118795750
Molecular FormulaC13H17F3N6O
Molecular Weight330.31 g/mol
Exact Mass330.14
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(N)n(CC(=O)NCCn2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C13H17F3N6O/c1-8-5-11(17)22(19-8)7-12(23)18-3-4-21-9(2)6-10(20-21)13(14,15)16/h5-6H,3-4,7,17H2,1-2H3,(H,18,23)
InChIKeyWAIBDVRZDLRVJR-UHFFFAOYSA-N
XLogP1.11
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 118795750) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is Cc1cc(N)n(CC(=O)NCCn2nc(C(F)(F)F)cc2C)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is WAIBDVRZDLRVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6O/c1-8-5-11(17)22(19-8)7-12(23)18-3-4-21-9(2)6-10(20-21)13(14,15)16/h5-6H,3-4,7,17H2,1-2H3,(H,18,23).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 330.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 118795750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).