3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

C10H12F3N5 — CID 66016836

IUPAC3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1N
InChIInChI=1S/C10H12F3N5/c1-3-6-8(14)9(17(2)15-6)18-5-4-7(16-18)10(11,12)13/h4-5H,3,14H2,1-2H3
InChIKeyLSAIYOAYYZGPJL-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.77
Rot. Bonds2

About 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (PubChem CID 66016836) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
PubChem CID66016836
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1N
InChIInChI=1S/C10H12F3N5/c1-3-6-8(14)9(17(2)15-6)18-5-4-7(16-18)10(11,12)13/h4-5H,3,14H2,1-2H3
InChIKeyLSAIYOAYYZGPJL-UHFFFAOYSA-N
XLogP1.77
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (CID 66016836) is 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is CCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The InChIKey is LSAIYOAYYZGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-3-6-8(14)9(17(2)15-6)18-5-4-7(16-18)10(11,12)13/h4-5H,3,14H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine has a molecular weight of 259.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66016836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).