(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate

C14H19N3O3 — CID 55569703

IUPAC(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H19N3O3/c18-13(17-6-2-1-3-7-17)9-20-14(19)12-8-11(15-16-12)10-4-5-10/h8,10H,1-7,9H2,(H,15,16)
InChIKeyMFYQMKYJUNRXID-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.46
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate (PubChem CID 55569703) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate
PubChem CID55569703
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H19N3O3/c18-13(17-6-2-1-3-7-17)9-20-14(19)12-8-11(15-16-12)10-4-5-10/h8,10H,1-7,9H2,(H,15,16)
InChIKeyMFYQMKYJUNRXID-UHFFFAOYSA-N
XLogP1.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate (CID 55569703) is (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The InChIKey is MFYQMKYJUNRXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(17-6-2-1-3-7-17)9-20-14(19)12-8-11(15-16-12)10-4-5-10/h8,10H,1-7,9H2,(H,15,16).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55569703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).