4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine

C6H10FN3O2S — CID 165498910

IUPAC4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine
SMILESCn1nc(CS(C)(=O)=O)c(F)c1N
InChIInChI=1S/C6H10FN3O2S/c1-10-6(8)5(7)4(9-10)3-13(2,11)12/h3,8H2,1-2H3
InChIKeyMKQYEYJYAXOFNH-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.31
Rot. Bonds2

About 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine

4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine (PubChem CID 165498910) has the molecular formula C6H10FN3O2S and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine
PubChem CID165498910
Molecular FormulaC6H10FN3O2S
Molecular Weight207.23 g/mol
Exact Mass207.05
IUPAC Name4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine
SMILESCn1nc(CS(C)(=O)=O)c(F)c1N
InChIInChI=1S/C6H10FN3O2S/c1-10-6(8)5(7)4(9-10)3-13(2,11)12/h3,8H2,1-2H3
InChIKeyMKQYEYJYAXOFNH-UHFFFAOYSA-N
XLogP-0.31
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine?
The IUPAC name of 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine (CID 165498910) is 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine is Cn1nc(CS(C)(=O)=O)c(F)c1N.
What is the InChIKey of 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine?
The InChIKey is MKQYEYJYAXOFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O2S/c1-10-6(8)5(7)4(9-10)3-13(2,11)12/h3,8H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine?
4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine has a molecular weight of 207.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine is sourced from PubChem (CID 165498910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).