4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine

C15H18ClN3O — CID 115055523

IUPAC4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
SMILESCc1c(Oc2ccc(Cl)cc2)cnn1C1CCNCC1
InChIInChI=1S/C15H18ClN3O/c1-11-15(20-14-4-2-12(16)3-5-14)10-18-19(11)13-6-8-17-9-7-13/h2-5,10,13,17H,6-9H2,1H3
InChIKeyWTPKKBUNKAVHJF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.56
Rot. Bonds3

About 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine

4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine (PubChem CID 115055523) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
PubChem CID115055523
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
SMILESCc1c(Oc2ccc(Cl)cc2)cnn1C1CCNCC1
InChIInChI=1S/C15H18ClN3O/c1-11-15(20-14-4-2-12(16)3-5-14)10-18-19(11)13-6-8-17-9-7-13/h2-5,10,13,17H,6-9H2,1H3
InChIKeyWTPKKBUNKAVHJF-UHFFFAOYSA-N
XLogP3.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine (CID 115055523) is 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine is Cc1c(Oc2ccc(Cl)cc2)cnn1C1CCNCC1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine?
The InChIKey is WTPKKBUNKAVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-15(20-14-4-2-12(16)3-5-14)10-18-19(11)13-6-8-17-9-7-13/h2-5,10,13,17H,6-9H2,1H3.
What are the key properties of 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine?
4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine has a molecular weight of 291.78 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine is sourced from PubChem (CID 115055523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).