4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine

C13H21N3O — CID 105496710

IUPAC4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine
SMILESCc1c(C2CCNCC2)cnn1C1CCCO1
InChIInChI=1S/C13H21N3O/c1-10-12(11-4-6-14-7-5-11)9-15-16(10)13-3-2-8-17-13/h9,11,13-14H,2-8H2,1H3
InChIKeyUUHVGNPNKVIGTC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds2

About 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine

4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine (PubChem CID 105496710) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine
PubChem CID105496710
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine
SMILESCc1c(C2CCNCC2)cnn1C1CCCO1
InChIInChI=1S/C13H21N3O/c1-10-12(11-4-6-14-7-5-11)9-15-16(10)13-3-2-8-17-13/h9,11,13-14H,2-8H2,1H3
InChIKeyUUHVGNPNKVIGTC-UHFFFAOYSA-N
XLogP1.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine?
The IUPAC name of 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine (CID 105496710) is 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine?
The canonical SMILES for 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine is Cc1c(C2CCNCC2)cnn1C1CCCO1.
What is the InChIKey of 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine?
The InChIKey is UUHVGNPNKVIGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-12(11-4-6-14-7-5-11)9-15-16(10)13-3-2-8-17-13/h9,11,13-14H,2-8H2,1H3.
What are the key properties of 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine?
4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 105496710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).