4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine

C22H25N3O — CID 11163843

IUPAC4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine
SMILESCn1nc(C2CCNCC2)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-25-22(15-21(24-25)18-11-13-23-14-12-18)19-7-9-20(10-8-19)26-16-17-5-3-2-4-6-17/h2-10,15,18,23H,11-14,16H2,1H3
InChIKeyMINOMAKPQGKDCF-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.13
Rot. Bonds5

About 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine

4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine (PubChem CID 11163843) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine
PubChem CID11163843
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine
SMILESCn1nc(C2CCNCC2)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-25-22(15-21(24-25)18-11-13-23-14-12-18)19-7-9-20(10-8-19)26-16-17-5-3-2-4-6-17/h2-10,15,18,23H,11-14,16H2,1H3
InChIKeyMINOMAKPQGKDCF-UHFFFAOYSA-N
XLogP4.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine?
The IUPAC name of 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine (CID 11163843) is 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine?
The canonical SMILES for 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine is Cn1nc(C2CCNCC2)cc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine?
The InChIKey is MINOMAKPQGKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-25-22(15-21(24-25)18-11-13-23-14-12-18)19-7-9-20(10-8-19)26-16-17-5-3-2-4-6-17/h2-10,15,18,23H,11-14,16H2,1H3.
What are the key properties of 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine?
4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine has a molecular weight of 347.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]piperidine is sourced from PubChem (CID 11163843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).