2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

C17H17F3N8 — CID 154883096

IUPAC2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H17F3N8/c1-12-24-15(10-16(25-12)28-4-2-3-23-28)27-7-5-26(6-8-27)14-9-13(17(18,19)20)21-11-22-14/h2-4,9-11H,5-8H2,1H3
InChIKeyHGGBTMJDLPDCIP-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (PubChem CID 154883096) has the molecular formula C17H17F3N8 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
PubChem CID154883096
Molecular FormulaC17H17F3N8
Molecular Weight390.37 g/mol
Exact Mass390.15
IUPAC Name2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H17F3N8/c1-12-24-15(10-16(25-12)28-4-2-3-23-28)27-7-5-26(6-8-27)14-9-13(17(18,19)20)21-11-22-14/h2-4,9-11H,5-8H2,1H3
InChIKeyHGGBTMJDLPDCIP-UHFFFAOYSA-N
XLogP2.11
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,3,3-trifluoro-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337820
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 126853610
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974337
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074558
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122337919
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
2-methyl-4-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337886
6-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146079870
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 165432983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (CID 154883096) is 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is Cc1nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The InChIKey is HGGBTMJDLPDCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N8/c1-12-24-15(10-16(25-12)28-4-2-3-23-28)27-7-5-26(6-8-27)14-9-13(17(18,19)20)21-11-22-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine has a molecular weight of 390.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154883096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).