3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H17N5 — CID 21066391

IUPAC3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H17N5/c1-2-16-14-23-25-19(22-13-15-7-6-10-21-12-15)11-18(24-20(16)25)17-8-4-3-5-9-17/h2-12,14,22H,1,13H2
InChIKeyNSEPTJJDVCSHAQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.05
Rot. Bonds5

About 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21066391) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21066391
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H17N5/c1-2-16-14-23-25-19(22-13-15-7-6-10-21-12-15)11-18(24-20(16)25)17-8-4-3-5-9-17/h2-12,14,22H,1,13H2
InChIKeyNSEPTJJDVCSHAQ-UHFFFAOYSA-N
XLogP4.05
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21066391) is 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C=Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NSEPTJJDVCSHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-16-14-23-25-19(22-13-15-7-6-10-21-12-15)11-18(24-20(16)25)17-8-4-3-5-9-17/h2-12,14,22H,1,13H2.
What are the key properties of 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21066391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).