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

C16H21N3O — CID 115055499

IUPAC4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine
SMILESCc1ccc(Oc2cnn(C3CCNCC3)c2C)cc1
InChIInChI=1S/C16H21N3O/c1-12-3-5-15(6-4-12)20-16-11-18-19(13(16)2)14-7-9-17-10-8-14/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyIVZQYIISPGWQJS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.22
Rot. Bonds3

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

4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine (PubChem CID 115055499) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine
PubChem CID115055499
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine
SMILESCc1ccc(Oc2cnn(C3CCNCC3)c2C)cc1
InChIInChI=1S/C16H21N3O/c1-12-3-5-15(6-4-12)20-16-11-18-19(13(16)2)14-7-9-17-10-8-14/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyIVZQYIISPGWQJS-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine?
The IUPAC name of 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine (CID 115055499) is 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine is Cc1ccc(Oc2cnn(C3CCNCC3)c2C)cc1.
What is the InChIKey of 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine?
The InChIKey is IVZQYIISPGWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-3-5-15(6-4-12)20-16-11-18-19(13(16)2)14-7-9-17-10-8-14/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine?
4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine is sourced from PubChem (CID 115055499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).