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

C10H12F3N5 — CID 19625394

IUPAC1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
SMILESCn1ccc(CNCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C10H12F3N5/c1-18-3-2-7(17-18)5-14-6-8-4-9(16-15-8)10(11,12)13/h2-4,14H,5-6H2,1H3,(H,15,16)
InChIKeyJEPATIRCOCSWEO-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.45
Rot. Bonds4

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

1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine (PubChem CID 19625394) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
PubChem CID19625394
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
SMILESCn1ccc(CNCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C10H12F3N5/c1-18-3-2-7(17-18)5-14-6-8-4-9(16-15-8)10(11,12)13/h2-4,14H,5-6H2,1H3,(H,15,16)
InChIKeyJEPATIRCOCSWEO-UHFFFAOYSA-N
XLogP1.45
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine (CID 19625394) is 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine is Cn1ccc(CNCc2cc(C(F)(F)F)n[nH]2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
The InChIKey is JEPATIRCOCSWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-18-3-2-7(17-18)5-14-6-8-4-9(16-15-8)10(11,12)13/h2-4,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine?
1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine has a molecular weight of 259.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 19625394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).