(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate

C10H15N3O3 — CID 156636510

IUPAC(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate
SMILESCn1cc(OC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-12-7-8(9(14)11-12)16-10(15)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,14)
InChIKeyHLENJVSFURBASO-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.70
Rot. Bonds1

About (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate

(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate (PubChem CID 156636510) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate
PubChem CID156636510
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate
SMILESCn1cc(OC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-12-7-8(9(14)11-12)16-10(15)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,14)
InChIKeyHLENJVSFURBASO-UHFFFAOYSA-N
XLogP0.70
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate?
The IUPAC name of (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate (CID 156636510) is (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate is Cn1cc(OC(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate?
The InChIKey is HLENJVSFURBASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-7-8(9(14)11-12)16-10(15)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,14).
What are the key properties of (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate?
(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate is sourced from PubChem (CID 156636510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).