1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine

C15H22F3N5 — CID 19626321

IUPAC1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cc(C(F)(F)F)n(CC)n2)cc1C
InChIInChI=1S/C15H22F3N5/c1-4-6-7-23-11(3)8-14(21-23)19-10-12-9-13(15(16,17)18)22(5-2)20-12/h8-9H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyWYSLEKURSKLURZ-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.84
Rot. Bonds7

About 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine

1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine (PubChem CID 19626321) has the molecular formula C15H22F3N5 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine
PubChem CID19626321
Molecular FormulaC15H22F3N5
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC Name1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cc(C(F)(F)F)n(CC)n2)cc1C
InChIInChI=1S/C15H22F3N5/c1-4-6-7-23-11(3)8-14(21-23)19-10-12-9-13(15(16,17)18)22(5-2)20-12/h8-9H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyWYSLEKURSKLURZ-UHFFFAOYSA-N
XLogP3.84
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine 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 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine (CID 19626321) is 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine is CCCCn1nc(NCc2cc(C(F)(F)F)n(CC)n2)cc1C.
What is the InChIKey of 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
The InChIKey is WYSLEKURSKLURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5/c1-4-6-7-23-11(3)8-14(21-23)19-10-12-9-13(15(16,17)18)22(5-2)20-12/h8-9H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine has a molecular weight of 329.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19626321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).