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

C13H18F3N5 — CID 19626318

IUPAC1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine
SMILESCCn1nc(NCc2cc(C(F)(F)F)n(CC)n2)cc1C
InChIInChI=1S/C13H18F3N5/c1-4-20-9(3)6-12(19-20)17-8-10-7-11(13(14,15)16)21(5-2)18-10/h6-7H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyROLWUKJXWMRNRJ-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.06
Rot. Bonds5

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

1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine (PubChem CID 19626318) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine
PubChem CID19626318
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC Name1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine
SMILESCCn1nc(NCc2cc(C(F)(F)F)n(CC)n2)cc1C
InChIInChI=1S/C13H18F3N5/c1-4-20-9(3)6-12(19-20)17-8-10-7-11(13(14,15)16)21(5-2)18-10/h6-7H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyROLWUKJXWMRNRJ-UHFFFAOYSA-N
XLogP3.06
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine (CID 19626318) is 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine is CCn1nc(NCc2cc(C(F)(F)F)n(CC)n2)cc1C.
What is the InChIKey of 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
The InChIKey is ROLWUKJXWMRNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-4-20-9(3)6-12(19-20)17-8-10-7-11(13(14,15)16)21(5-2)18-10/h6-7H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine?
1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine has a molecular weight of 301.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19626318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).