4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine

C9H7F3N4S — CID 78969097

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)5-1-2-7(14-3-5)17-6-4-15-16-8(6)13/h1-4H,(H3,13,15,16)
InChIKeySRORNEJYLKVQNX-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.56
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine

4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine (PubChem CID 78969097) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
PubChem CID78969097
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)5-1-2-7(14-3-5)17-6-4-15-16-8(6)13/h1-4H,(H3,13,15,16)
InChIKeySRORNEJYLKVQNX-UHFFFAOYSA-N
XLogP2.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine (CID 78969097) is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine?
The InChIKey is SRORNEJYLKVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)5-1-2-7(14-3-5)17-6-4-15-16-8(6)13/h1-4H,(H3,13,15,16).
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine?
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine has a molecular weight of 260.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 78969097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).