3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C17H17FN4 — CID 46299149

IUPAC3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H17FN4/c1-12-10-16(21-8-2-3-9-21)22-17(20-12)15(11-19-22)13-4-6-14(18)7-5-13/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyUEOWASANOWRSDH-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.44
Rot. Bonds2

About 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 46299149) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID46299149
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H17FN4/c1-12-10-16(21-8-2-3-9-21)22-17(20-12)15(11-19-22)13-4-6-14(18)7-5-13/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyUEOWASANOWRSDH-UHFFFAOYSA-N
XLogP3.44
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 46299129
7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 46299153
7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 166626976
7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 4903337
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741386
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46299173
7-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 42640807
N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299146
7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741379
7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3615753
7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 2045013
3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4975606

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 46299149) is 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC2)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is UEOWASANOWRSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-12-10-16(21-8-2-3-9-21)22-17(20-12)15(11-19-22)13-4-6-14(18)7-5-13/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 296.35 g/mol, XLogP of 3.44, 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-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).