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

C7H12FN3O2S — CID 165498971

IUPAC4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1F)S(C)(=O)=O
InChIInChI=1S/C7H12FN3O2S/c1-4(14(3,12)13)6-5(8)7(9)11(2)10-6/h4H,9H2,1-3H3
InChIKeyDHKCCAGXELAHHC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.25
Rot. Bonds2

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

4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine (PubChem CID 165498971) has the molecular formula C7H12FN3O2S and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
PubChem CID165498971
Molecular FormulaC7H12FN3O2S
Molecular Weight221.26 g/mol
Exact Mass221.06
IUPAC Name4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1F)S(C)(=O)=O
InChIInChI=1S/C7H12FN3O2S/c1-4(14(3,12)13)6-5(8)7(9)11(2)10-6/h4H,9H2,1-3H3
InChIKeyDHKCCAGXELAHHC-UHFFFAOYSA-N
XLogP0.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.25
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-(1-methylsulfonylethyl)pyrazol-5-amine?
The IUPAC name of 4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine (CID 165498971) is 4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine.
What is the SMILES notation for 4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The canonical SMILES for 4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine is CC(c1nn(C)c(N)c1F)S(C)(=O)=O.
What is the InChIKey of 4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The InChIKey is DHKCCAGXELAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O2S/c1-4(14(3,12)13)6-5(8)7(9)11(2)10-6/h4H,9H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine?
4-fluoro-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine has a molecular weight of 221.26 g/mol, XLogP of 0.25, 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-(1-methylsulfonylethyl)pyrazol-5-amine is sourced from PubChem (CID 165498971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).