N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine

C14H15F3N4O2S — CID 24859043

IUPACN-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCC2)nc1
InChIInChI=1S/C14H15F3N4O2S/c1-24(22,23)10-5-6-12(18-8-10)21-13(19-9-3-2-4-9)7-11(20-21)14(15,16)17/h5-9,19H,2-4H2,1H3
InChIKeyVEYKZDCCZOITCB-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.65
Rot. Bonds4

About N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine

N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 24859043) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID24859043
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC NameN-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCC2)nc1
InChIInChI=1S/C14H15F3N4O2S/c1-24(22,23)10-5-6-12(18-8-10)21-13(19-9-3-2-4-9)7-11(20-21)14(15,16)17/h5-9,19H,2-4H2,1H3
InChIKeyVEYKZDCCZOITCB-UHFFFAOYSA-N
XLogP2.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 24859043) is N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCC2)nc1.
What is the InChIKey of N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is VEYKZDCCZOITCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-24(22,23)10-5-6-12(18-8-10)21-13(19-9-3-2-4-9)7-11(20-21)14(15,16)17/h5-9,19H,2-4H2,1H3.
What are the key properties of N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 360.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 24859043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).