1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine

C11H14F3N5 — CID 19625413

IUPAC1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
SMILESCCn1ccc(CNCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C11H14F3N5/c1-2-19-4-3-8(18-19)6-15-7-9-5-10(17-16-9)11(12,13)14/h3-5,15H,2,6-7H2,1H3,(H,16,17)
InChIKeyZSCAEMMJKHMFQQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.93
Rot. Bonds5

About 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine

1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine (PubChem CID 19625413) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
PubChem CID19625413
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
SMILESCCn1ccc(CNCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C11H14F3N5/c1-2-19-4-3-8(18-19)6-15-7-9-5-10(17-16-9)11(12,13)14/h3-5,15H,2,6-7H2,1H3,(H,16,17)
InChIKeyZSCAEMMJKHMFQQ-UHFFFAOYSA-N
XLogP1.93
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine (CID 19625413) is 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine is CCn1ccc(CNCc2cc(C(F)(F)F)n[nH]2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
The InChIKey is ZSCAEMMJKHMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-2-19-4-3-8(18-19)6-15-7-9-5-10(17-16-9)11(12,13)14/h3-5,15H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine has a molecular weight of 273.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 19625413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).