4-(3-ethoxypyrazol-1-yl)piperidine

C10H17N3O — CID 89388808

IUPAC4-(3-ethoxypyrazol-1-yl)piperidine
SMILESCCOc1ccn(C2CCNCC2)n1
InChIInChI=1S/C10H17N3O/c1-2-14-10-5-8-13(12-10)9-3-6-11-7-4-9/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyPQYRCXKGWLKLLJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds3

About 4-(3-ethoxypyrazol-1-yl)piperidine

4-(3-ethoxypyrazol-1-yl)piperidine (PubChem CID 89388808) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(3-ethoxypyrazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(3-ethoxypyrazol-1-yl)piperidine
PubChem CID89388808
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(3-ethoxypyrazol-1-yl)piperidine
SMILESCCOc1ccn(C2CCNCC2)n1
InChIInChI=1S/C10H17N3O/c1-2-14-10-5-8-13(12-10)9-3-6-11-7-4-9/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyPQYRCXKGWLKLLJ-UHFFFAOYSA-N
XLogP1.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypyrazol-1-yl)piperidine?
The IUPAC name of 4-(3-ethoxypyrazol-1-yl)piperidine (CID 89388808) is 4-(3-ethoxypyrazol-1-yl)piperidine.
What is the SMILES notation for 4-(3-ethoxypyrazol-1-yl)piperidine?
The canonical SMILES for 4-(3-ethoxypyrazol-1-yl)piperidine is CCOc1ccn(C2CCNCC2)n1.
What is the InChIKey of 4-(3-ethoxypyrazol-1-yl)piperidine?
The InChIKey is PQYRCXKGWLKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-14-10-5-8-13(12-10)9-3-6-11-7-4-9/h5,8-9,11H,2-4,6-7H2,1H3.
What are the key properties of 4-(3-ethoxypyrazol-1-yl)piperidine?
4-(3-ethoxypyrazol-1-yl)piperidine has a molecular weight of 195.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypyrazol-1-yl)piperidine is sourced from PubChem (CID 89388808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).