5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H21N5O2 — CID 51363400

IUPAC5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCN1CCN(C(=O)c2c[nH]n3c(=O)cc(C)nc23)CC1
InChIInChI=1S/C15H21N5O2/c1-3-4-18-5-7-19(8-6-18)15(22)12-10-16-20-13(21)9-11(2)17-14(12)20/h9-10,16H,3-8H2,1-2H3
InChIKeyCRJCJOCISKSFBX-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.50
Rot. Bonds3

About 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 51363400) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID51363400
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCN1CCN(C(=O)c2c[nH]n3c(=O)cc(C)nc23)CC1
InChIInChI=1S/C15H21N5O2/c1-3-4-18-5-7-19(8-6-18)15(22)12-10-16-20-13(21)9-11(2)17-14(12)20/h9-10,16H,3-8H2,1-2H3
InChIKeyCRJCJOCISKSFBX-UHFFFAOYSA-N
XLogP0.50
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 51363400) is 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCN1CCN(C(=O)c2c[nH]n3c(=O)cc(C)nc23)CC1.
What is the InChIKey of 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CRJCJOCISKSFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-4-18-5-7-19(8-6-18)15(22)12-10-16-20-13(21)9-11(2)17-14(12)20/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 303.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51363400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).