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

C15H17F3N4O2S — CID 22499584

IUPACN-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCCC2)nc1
InChIInChI=1S/C15H17F3N4O2S/c1-25(23,24)11-6-7-13(19-9-11)22-14(20-10-4-2-3-5-10)8-12(21-22)15(16,17)18/h6-10,20H,2-5H2,1H3
InChIKeyXAXKIFBQVUEXLN-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.04
Rot. Bonds4

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

N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 22499584) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID22499584
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC NameN-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCCC2)nc1
InChIInChI=1S/C15H17F3N4O2S/c1-25(23,24)11-6-7-13(19-9-11)22-14(20-10-4-2-3-5-10)8-12(21-22)15(16,17)18/h6-10,20H,2-5H2,1H3
InChIKeyXAXKIFBQVUEXLN-UHFFFAOYSA-N
XLogP3.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 22499584) is N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCCC2)nc1.
What is the InChIKey of N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is XAXKIFBQVUEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-25(23,24)11-6-7-13(19-9-11)22-14(20-10-4-2-3-5-10)8-12(21-22)15(16,17)18/h6-10,20H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine?
N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 374.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 22499584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).