7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine

C21H25FN4 — CID 166626976

IUPAC7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCCCCC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C21H25FN4/c1-2-7-18-14-20(25-12-5-3-4-6-13-25)26-21(24-18)19(15-23-26)16-8-10-17(22)11-9-16/h8-11,14-15H,2-7,12-13H2,1H3
InChIKeyHWTGGZRQCSIAQJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.87
Rot. Bonds4

About 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine

7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 166626976) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
PubChem CID166626976
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC Name7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCCCCC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C21H25FN4/c1-2-7-18-14-20(25-12-5-3-4-6-13-25)26-21(24-18)19(15-23-26)16-8-10-17(22)11-9-16/h8-11,14-15H,2-7,12-13H2,1H3
InChIKeyHWTGGZRQCSIAQJ-UHFFFAOYSA-N
XLogP4.87
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 46299149
7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 46299153
7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 46299129
3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4975606
7-(2-methylimidazol-1-yl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
CID 4909998
7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 4903337
8-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135656097
7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741379
N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299146
8-(4-fluorophenyl)-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135656103
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767542
7-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 42640807

Frequently Asked Questions

What is the IUPAC name of 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine (CID 166626976) is 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc(N2CCCCCC2)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HWTGGZRQCSIAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4/c1-2-7-18-14-20(25-12-5-3-4-6-13-25)26-21(24-18)19(15-23-26)16-8-10-17(22)11-9-16/h8-11,14-15H,2-7,12-13H2,1H3.
What are the key properties of 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 352.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166626976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).