5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H22ClN5 — CID 89055812

IUPAC5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=Cc1cnn2c(NCC3CCCNC3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C20H22ClN5/c1-2-15-13-24-26-19(23-12-14-6-5-9-22-11-14)10-18(25-20(15)26)16-7-3-4-8-17(16)21/h2-4,7-8,10,13-14,22-23H,1,5-6,9,11-12H2
InChIKeyVQROJGIWWRNMOR-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.10
Rot. Bonds5

About 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 89055812) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID89055812
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=Cc1cnn2c(NCC3CCCNC3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C20H22ClN5/c1-2-15-13-24-26-19(23-12-14-6-5-9-22-11-14)10-18(25-20(15)26)16-7-3-4-8-17(16)21/h2-4,7-8,10,13-14,22-23H,1,5-6,9,11-12H2
InChIKeyVQROJGIWWRNMOR-UHFFFAOYSA-N
XLogP4.10
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 88986606
3-bromo-5-(2-chlorophenyl)-N-[(1-cyclobutylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066879
CID 89056111
CID 89056111
5-(2-chlorophenyl)-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 71213622
CID 89376777
CID 89376777
4-[[3-[[5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-methylamino]methyl]phenol
CID 89056006
CID 89055607
CID 89055607
3-bromo-5-(2-chlorophenyl)-N-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066656
4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide
CID 21066310
3-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]propane-1-thiol
CID 58781329
CID 89055606
CID 89055606
[5-[[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 21066397

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 89055812) is 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C=Cc1cnn2c(NCC3CCCNC3)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VQROJGIWWRNMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-2-15-13-24-26-19(23-12-14-6-5-9-22-11-14)10-18(25-20(15)26)16-7-3-4-8-17(16)21/h2-4,7-8,10,13-14,22-23H,1,5-6,9,11-12H2.
What are the key properties of 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 367.88 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 89055812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).