2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine

C15H11F3N4S2 — CID 134424777

IUPAC2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine
SMILESFC(F)(F)Sc1ccc(SNc2ccnn2-c2ccccn2)cc1
InChIInChI=1S/C15H11F3N4S2/c16-15(17,18)23-11-4-6-12(7-5-11)24-21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H
InChIKeyHLMYEYHDOAGJQZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.00
Rot. Bonds5

About 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine

2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine (PubChem CID 134424777) has the molecular formula C15H11F3N4S2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine
PubChem CID134424777
Molecular FormulaC15H11F3N4S2
Molecular Weight368.41 g/mol
Exact Mass368.04
IUPAC Name2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine
SMILESFC(F)(F)Sc1ccc(SNc2ccnn2-c2ccccn2)cc1
InChIInChI=1S/C15H11F3N4S2/c16-15(17,18)23-11-4-6-12(7-5-11)24-21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H
InChIKeyHLMYEYHDOAGJQZ-UHFFFAOYSA-N
XLogP5.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine?
The IUPAC name of 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine (CID 134424777) is 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine.
What is the SMILES notation for 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine?
The canonical SMILES for 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine is FC(F)(F)Sc1ccc(SNc2ccnn2-c2ccccn2)cc1.
What is the InChIKey of 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine?
The InChIKey is HLMYEYHDOAGJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4S2/c16-15(17,18)23-11-4-6-12(7-5-11)24-21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H.
What are the key properties of 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine?
2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine has a molecular weight of 368.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpyrazol-3-amine is sourced from PubChem (CID 134424777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).