3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H16F4N4 — CID 46299173

IUPAC3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H16F4N4/c1-11-10-14(25-8-2-3-9-25)26-17(23-11)15(16(24-26)18(20,21)22)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAQGFRDLGAWJIKI-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.46
Rot. Bonds2

About 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46299173) has the molecular formula C18H16F4N4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID46299173
Molecular FormulaC18H16F4N4
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H16F4N4/c1-11-10-14(25-8-2-3-9-25)26-17(23-11)15(16(24-26)18(20,21)22)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAQGFRDLGAWJIKI-UHFFFAOYSA-N
XLogP4.46
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 7632813
3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299110
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895239
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 46299149
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-(2-chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895270
3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 46299369
3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895257
N-[4-[[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide
CID 46299166
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 10053204
N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 51613132
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 46299173) is 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AQGFRDLGAWJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4/c1-11-10-14(25-8-2-3-9-25)26-17(23-11)15(16(24-26)18(20,21)22)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 364.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).