3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine

C12H16N4 — CID 123303911

IUPAC3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(N3CCC(C)C3)nc12
InChIInChI=1S/C12H16N4/c1-9-3-5-15(8-9)11-4-6-16-12(14-11)10(2)7-13-16/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyQWTKSKYPVDZIPE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.88
Rot. Bonds1

About 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine

3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 123303911) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID123303911
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(N3CCC(C)C3)nc12
InChIInChI=1S/C12H16N4/c1-9-3-5-15(8-9)11-4-6-16-12(14-11)10(2)7-13-16/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyQWTKSKYPVDZIPE-UHFFFAOYSA-N
XLogP1.88
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 123303911) is 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cnn2ccc(N3CCC(C)C3)nc12.
What is the InChIKey of 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QWTKSKYPVDZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-3-5-15(8-9)11-4-6-16-12(14-11)10(2)7-13-16/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123303911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).