N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine

C11H11F3N4 — CID 81254012

IUPACN-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine
SMILESCNCc1cnccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4/c1-15-6-8-7-16-4-2-9(8)18-5-3-10(17-18)11(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyLGVVQNVYGTUNOH-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine

N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine (PubChem CID 81254012) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine
PubChem CID81254012
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine
SMILESCNCc1cnccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4/c1-15-6-8-7-16-4-2-9(8)18-5-3-10(17-18)11(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyLGVVQNVYGTUNOH-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine (CID 81254012) is N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine is CNCc1cnccc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine?
The InChIKey is LGVVQNVYGTUNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-15-6-8-7-16-4-2-9(8)18-5-3-10(17-18)11(12,13)14/h2-5,7,15H,6H2,1H3.
What are the key properties of N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine?
N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81254012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).