N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine

C5H6F3N3S — CID 141023391

IUPACN-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine
SMILESCNc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C5H6F3N3S/c1-9-4-3(2-10-11-4)12-5(6,7)8/h2H,1H3,(H2,9,10,11)
InChIKeyDBGURLNHTOUADC-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.06
Rot. Bonds2

About N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine

N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine (PubChem CID 141023391) has the molecular formula C5H6F3N3S and a molecular weight of 197.19 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine
PubChem CID141023391
Molecular FormulaC5H6F3N3S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC NameN-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine
SMILESCNc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C5H6F3N3S/c1-9-4-3(2-10-11-4)12-5(6,7)8/h2H,1H3,(H2,9,10,11)
InChIKeyDBGURLNHTOUADC-UHFFFAOYSA-N
XLogP2.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
The IUPAC name of N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine (CID 141023391) is N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine is CNc1[nH]ncc1SC(F)(F)F.
What is the InChIKey of N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
The InChIKey is DBGURLNHTOUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-9-4-3(2-10-11-4)12-5(6,7)8/h2H,1H3,(H2,9,10,11).
What are the key properties of N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine has a molecular weight of 197.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 141023391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).