N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C15H19F3N6O2S — CID 126889661

IUPACN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H19F3N6O2S/c1-9-14(10(2)23-22-9)27(25,26)24-5-3-11(4-6-24)21-13-7-12(15(16,17)18)19-8-20-13/h7-8,11H,3-6H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyRTHCPLWMSLUTKY-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.10
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889661) has the molecular formula C15H19F3N6O2S and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889661
Molecular FormulaC15H19F3N6O2S
Molecular Weight404.42 g/mol
Exact Mass404.12
IUPAC NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H19F3N6O2S/c1-9-14(10(2)23-22-9)27(25,26)24-5-3-11(4-6-24)21-13-7-12(15(16,17)18)19-8-20-13/h7-8,11H,3-6H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyRTHCPLWMSLUTKY-UHFFFAOYSA-N
XLogP2.10
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889661) is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RTHCPLWMSLUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2S/c1-9-14(10(2)23-22-9)27(25,26)24-5-3-11(4-6-24)21-13-7-12(15(16,17)18)19-8-20-13/h7-8,11H,3-6H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 404.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).