4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine

C4H4F3N3OS — CID 154512761

IUPAC4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)C(F)(F)F
InChIInChI=1S/C4H4F3N3OS/c5-4(6,7)12(11)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKeyCUBDPGJZKXMPSL-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.62
Rot. Bonds1

About 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine

4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine (PubChem CID 154512761) has the molecular formula C4H4F3N3OS and a molecular weight of 199.16 g/mol. Its IUPAC name is 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine
PubChem CID154512761
Molecular FormulaC4H4F3N3OS
Molecular Weight199.16 g/mol
Exact Mass199.00
IUPAC Name4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)C(F)(F)F
InChIInChI=1S/C4H4F3N3OS/c5-4(6,7)12(11)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKeyCUBDPGJZKXMPSL-UHFFFAOYSA-N
XLogP0.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine (CID 154512761) is 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1S(=O)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine?
The InChIKey is CUBDPGJZKXMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3OS/c5-4(6,7)12(11)2-1-9-10-3(2)8/h1H,(H3,8,9,10).
What are the key properties of 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine?
4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine has a molecular weight of 199.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 154512761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).