3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid

C15H18N4O3 — CID 174191780

IUPAC3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid
SMILESCC(=O)c1c(C)nn2c(C3CCCN(C(=O)O)C3)ccnc12
InChIInChI=1S/C15H18N4O3/c1-9-13(10(2)20)14-16-6-5-12(19(14)17-9)11-4-3-7-18(8-11)15(21)22/h5-6,11H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyUEZJPMKRMCPVHE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.10
Rot. Bonds2

About 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid

3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid (PubChem CID 174191780) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid
PubChem CID174191780
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid
SMILESCC(=O)c1c(C)nn2c(C3CCCN(C(=O)O)C3)ccnc12
InChIInChI=1S/C15H18N4O3/c1-9-13(10(2)20)14-16-6-5-12(19(14)17-9)11-4-3-7-18(8-11)15(21)22/h5-6,11H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyUEZJPMKRMCPVHE-UHFFFAOYSA-N
XLogP2.10
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid (CID 174191780) is 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid is CC(=O)c1c(C)nn2c(C3CCCN(C(=O)O)C3)ccnc12.
What is the InChIKey of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
The InChIKey is UEZJPMKRMCPVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-13(10(2)20)14-16-6-5-12(19(14)17-9)11-4-3-7-18(8-11)15(21)22/h5-6,11H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 174191780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).