4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine

C10H17N3O — CID 90920394

IUPAC4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
SMILESCOCc1cc(C2CCNCC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-14-7-9-6-10(13-12-9)8-2-4-11-5-3-8/h6,8,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyGESOHVNUVYDTKX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.02
Rot. Bonds3

About 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine

4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine (PubChem CID 90920394) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
PubChem CID90920394
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
SMILESCOCc1cc(C2CCNCC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-14-7-9-6-10(13-12-9)8-2-4-11-5-3-8/h6,8,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyGESOHVNUVYDTKX-UHFFFAOYSA-N
XLogP1.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine?
The IUPAC name of 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine (CID 90920394) is 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine?
The canonical SMILES for 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine is COCc1cc(C2CCNCC2)n[nH]1.
What is the InChIKey of 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine?
The InChIKey is GESOHVNUVYDTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-7-9-6-10(13-12-9)8-2-4-11-5-3-8/h6,8,11H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine?
4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine has a molecular weight of 195.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine is sourced from PubChem (CID 90920394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).