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

C19H17N5 — CID 21067240

IUPAC3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5/c1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16/h2-12,21H,13H2,1H3
InChIKeyOSNABEXAPUJGSV-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.71
Rot. Bonds4

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

3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21067240) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21067240
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5/c1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16/h2-12,21H,13H2,1H3
InChIKeyOSNABEXAPUJGSV-UHFFFAOYSA-N
XLogP3.71
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21067240) is 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OSNABEXAPUJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16/h2-12,21H,13H2,1H3.
What are the key properties of 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21067240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).