5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H21N5 — CID 11724991

IUPAC5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H21N5/c1-15(2)18-14-24-26-20(23-13-16-7-6-10-22-12-16)11-19(25-21(18)26)17-8-4-3-5-9-17/h3-12,14-15,23H,13H2,1-2H3
InChIKeyZKIHCRRMROTOGY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.53
Rot. Bonds5

About 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11724991) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11724991
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H21N5/c1-15(2)18-14-24-26-20(23-13-16-7-6-10-22-12-16)11-19(25-21(18)26)17-8-4-3-5-9-17/h3-12,14-15,23H,13H2,1-2H3
InChIKeyZKIHCRRMROTOGY-UHFFFAOYSA-N
XLogP4.53
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 11724991) is 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZKIHCRRMROTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-15(2)18-14-24-26-20(23-13-16-7-6-10-22-12-16)11-19(25-21(18)26)17-8-4-3-5-9-17/h3-12,14-15,23H,13H2,1-2H3.
What are the key properties of 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11724991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).