[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine

C10H9F3N4 — CID 113320436

IUPAC[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
SMILESNCc1ccc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)9-3-4-17(16-9)8-2-1-7(5-14)15-6-8/h1-4,6H,5,14H2
InChIKeyHHQMKDUZFLGPEI-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.74
Rot. Bonds2

About [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine

[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine (PubChem CID 113320436) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
PubChem CID113320436
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
SMILESNCc1ccc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)9-3-4-17(16-9)8-2-1-7(5-14)15-6-8/h1-4,6H,5,14H2
InChIKeyHHQMKDUZFLGPEI-UHFFFAOYSA-N
XLogP1.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine?
The IUPAC name of [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine (CID 113320436) is [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine is NCc1ccc(-n2ccc(C(F)(F)F)n2)cn1.
What is the InChIKey of [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine?
The InChIKey is HHQMKDUZFLGPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)9-3-4-17(16-9)8-2-1-7(5-14)15-6-8/h1-4,6H,5,14H2.
What are the key properties of [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine?
[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine has a molecular weight of 242.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 113320436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).