ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine

C17H24F3N5 — CID 170639587

IUPACethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine
SMILESCC.Cc1ncc(C(F)(F)F)c(-c2cnn(C3CCN(C)CC3)c2)n1
InChIInChI=1S/C15H18F3N5.C2H6/c1-10-19-8-13(15(16,17)18)14(21-10)11-7-20-23(9-11)12-3-5-22(2)6-4-12;1-2/h7-9,12H,3-6H2,1-2H3;1-2H3
InChIKeyYXDDAWUQEWIPPY-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.96
Rot. Bonds2

About ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine

ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine (PubChem CID 170639587) has the molecular formula C17H24F3N5 and a molecular weight of 355.41 g/mol. Its IUPAC name is ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine
PubChem CID170639587
Molecular FormulaC17H24F3N5
Molecular Weight355.41 g/mol
Exact Mass355.20
IUPAC Nameethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine
SMILESCC.Cc1ncc(C(F)(F)F)c(-c2cnn(C3CCN(C)CC3)c2)n1
InChIInChI=1S/C15H18F3N5.C2H6/c1-10-19-8-13(15(16,17)18)14(21-10)11-7-20-23(9-11)12-3-5-22(2)6-4-12;1-2/h7-9,12H,3-6H2,1-2H3;1-2H3
InChIKeyYXDDAWUQEWIPPY-UHFFFAOYSA-N
XLogP3.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline
CID 171679495
1-(1-methylpiperidin-4-yl)pyrazole-4-thiol
CID 149139949
4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
CID 170835984
tert-butyl 4-[[4-[1-(4-methoxycyclohexyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 155688640
5-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 160795123
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 163849465
4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride
CID 177052267
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one
CID 178013024
4-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170952471
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine?
The IUPAC name of ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine (CID 170639587) is ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine is CC.Cc1ncc(C(F)(F)F)c(-c2cnn(C3CCN(C)CC3)c2)n1.
What is the InChIKey of ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine?
The InChIKey is YXDDAWUQEWIPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5.C2H6/c1-10-19-8-13(15(16,17)18)14(21-10)11-7-20-23(9-11)12-3-5-22(2)6-4-12;1-2/h7-9,12H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine?
ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine has a molecular weight of 355.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 170639587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).