5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H21F3N5+ — CID 7632813

IUPAC5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC[NH+](C)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H20F3N5/c1-13-12-15(26-10-8-25(2)9-11-26)27-18(23-13)16(14-6-4-3-5-7-14)17(24-27)19(20,21)22/h3-7,12H,8-11H2,1-2H3/p+1
InChIKeyHMKZQJLTEVTAOS-UHFFFAOYSA-O
MW376.41 g/mol
LogP2.06
Rot. Bonds2

About 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 7632813) has the molecular formula C19H21F3N5+ and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID7632813
Molecular FormulaC19H21F3N5+
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC[NH+](C)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H20F3N5/c1-13-12-15(26-10-8-25(2)9-11-26)27-18(23-13)16(14-6-4-3-5-7-14)17(24-27)19(20,21)22/h3-7,12H,8-11H2,1-2H3/p+1
InChIKeyHMKZQJLTEVTAOS-UHFFFAOYSA-O
XLogP2.06
TPSA37.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 7597694
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46299173
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895239
2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine
CID 7596250
3-(2-chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895270
N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 8741365
3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895257
5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956472
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3790883
N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 51613132
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3785760

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 7632813) is 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CC[NH+](C)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HMKZQJLTEVTAOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20F3N5/c1-13-12-15(26-10-8-25(2)9-11-26)27-18(23-13)16(14-6-4-3-5-7-14)17(24-27)19(20,21)22/h3-7,12H,8-11H2,1-2H3/p+1.
What are the key properties of 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 376.41 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7632813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).