(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H19F3N4O — CID 66116983

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C13H19F3N4O/c1-3-9-10(17)11(19(2)18-9)12(21)20-6-4-8(5-7-20)13(14,15)16/h8H,3-7,17H2,1-2H3
InChIKeyZEVVTHMWYVYHKW-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.98
Rot. Bonds2

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 66116983) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID66116983
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C13H19F3N4O/c1-3-9-10(17)11(19(2)18-9)12(21)20-6-4-8(5-7-20)13(14,15)16/h8H,3-7,17H2,1-2H3
InChIKeyZEVVTHMWYVYHKW-UHFFFAOYSA-N
XLogP1.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 66116983) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is CCc1nn(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ZEVVTHMWYVYHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-9-10(17)11(19(2)18-9)12(21)20-6-4-8(5-7-20)13(14,15)16/h8H,3-7,17H2,1-2H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 304.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66116983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).