2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C20H24N4 — CID 666759

IUPAC2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H24N4/c1-3-9-17-14-18(23-12-7-8-13-23)24-20(21-17)19(15(2)22-24)16-10-5-4-6-11-16/h4-6,10-11,14H,3,7-9,12-13H2,1-2H3
InChIKeyWMJIKSKVVSLNIH-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.26
Rot. Bonds4

About 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 666759) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID666759
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H24N4/c1-3-9-17-14-18(23-12-7-8-13-23)24-20(21-17)19(15(2)22-24)16-10-5-4-6-11-16/h4-6,10-11,14H,3,7-9,12-13H2,1-2H3
InChIKeyWMJIKSKVVSLNIH-UHFFFAOYSA-N
XLogP4.26
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 666759) is 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is CCCc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WMJIKSKVVSLNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-3-9-17-14-18(23-12-7-8-13-23)24-20(21-17)19(15(2)22-24)16-10-5-4-6-11-16/h4-6,10-11,14H,3,7-9,12-13H2,1-2H3.
What are the key properties of 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-propyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 666759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).