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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Related Compounds

4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055523
4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)oxyphenol
CID 115055547
4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole
CID 115055509
4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055478
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119852347
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119852346
ethane;4-(4-ethyl-5-methylpyrazol-1-yl)piperidine
CID 171660480
5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
CID 117231772
5-methyl-N-(5-methyl-2-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119808194
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride
CID 134494617
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434

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).