4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid

C14H18N4O2 — CID 114427477

IUPAC4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2ccn3nccc3n2)C(C(=O)O)C1
InChIInChI=1S/C14H18N4O2/c1-2-10-4-7-17(11(9-10)14(19)20)12-5-8-18-13(16-12)3-6-15-18/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,19,20)
InChIKeyFHVBYTOIWLSWSN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds3

About 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid

4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid (PubChem CID 114427477) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
PubChem CID114427477
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2ccn3nccc3n2)C(C(=O)O)C1
InChIInChI=1S/C14H18N4O2/c1-2-10-4-7-17(11(9-10)14(19)20)12-5-8-18-13(16-12)3-6-15-18/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,19,20)
InChIKeyFHVBYTOIWLSWSN-UHFFFAOYSA-N
XLogP1.81
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427497
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
CID 114427626
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636
4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427593

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid (CID 114427477) is 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid is CCC1CCN(c2ccn3nccc3n2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid?
The InChIKey is FHVBYTOIWLSWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10-4-7-17(11(9-10)14(19)20)12-5-8-18-13(16-12)3-6-15-18/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid?
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).