4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine

C17H23F3N6O2S — CID 91631586

IUPAC4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C17H23F3N6O2S/c1-11(2)26-13(4)16(12(3)23-26)29(27,28)25-7-5-24(6-8-25)15-9-14(17(18,19)20)21-10-22-15/h9-11H,5-8H2,1-4H3
InChIKeyGGDPWLCRALPGOA-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.40
Rot. Bonds4

About 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 91631586) has the molecular formula C17H23F3N6O2S and a molecular weight of 432.47 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID91631586
Molecular FormulaC17H23F3N6O2S
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C17H23F3N6O2S/c1-11(2)26-13(4)16(12(3)23-26)29(27,28)25-7-5-24(6-8-25)15-9-14(17(18,19)20)21-10-22-15/h9-11H,5-8H2,1-4H3
InChIKeyGGDPWLCRALPGOA-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 91631586) is 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is GGDPWLCRALPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O2S/c1-11(2)26-13(4)16(12(3)23-26)29(27,28)25-7-5-24(6-8-25)15-9-14(17(18,19)20)21-10-22-15/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 432.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91631586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).