4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid

C16H18N4O4 — CID 137026059

IUPAC4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
SMILESO=C(c1cnn2c(C3CCN(C(=O)O)CC3)cc(=O)[nH]c12)C1CC1
InChIInChI=1S/C16H18N4O4/c21-13-7-12(9-3-5-19(6-4-9)16(23)24)20-15(18-13)11(8-17-20)14(22)10-1-2-10/h7-10H,1-6H2,(H,18,21)(H,23,24)
InChIKeyDBIVVWXXLQYRGZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.47
Rot. Bonds3

About 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid

4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid (PubChem CID 137026059) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
PubChem CID137026059
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
SMILESO=C(c1cnn2c(C3CCN(C(=O)O)CC3)cc(=O)[nH]c12)C1CC1
InChIInChI=1S/C16H18N4O4/c21-13-7-12(9-3-5-19(6-4-9)16(23)24)20-15(18-13)11(8-17-20)14(22)10-1-2-10/h7-10H,1-6H2,(H,18,21)(H,23,24)
InChIKeyDBIVVWXXLQYRGZ-UHFFFAOYSA-N
XLogP1.47
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid (CID 137026059) is 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid is O=C(c1cnn2c(C3CCN(C(=O)O)CC3)cc(=O)[nH]c12)C1CC1.
What is the InChIKey of 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The InChIKey is DBIVVWXXLQYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-13-7-12(9-3-5-19(6-4-9)16(23)24)20-15(18-13)11(8-17-20)14(22)10-1-2-10/h7-10H,1-6H2,(H,18,21)(H,23,24).
What are the key properties of 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137026059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).