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

C24H29N3O — CID 18187803

IUPAC4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCNCC1
InChIInChI=1S/C24H29N3O/c1-2-27-24(21-12-14-25-15-13-21)17-22(26-27)16-19-8-10-23(11-9-19)28-18-20-6-4-3-5-7-20/h3-11,17,21,25H,2,12-16,18H2,1H3
InChIKeyCDYVEZOHXOKOOM-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.54
Rot. Bonds7

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

4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine (PubChem CID 18187803) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
PubChem CID18187803
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCNCC1
InChIInChI=1S/C24H29N3O/c1-2-27-24(21-12-14-25-15-13-21)17-22(26-27)16-19-8-10-23(11-9-19)28-18-20-6-4-3-5-7-20/h3-11,17,21,25H,2,12-16,18H2,1H3
InChIKeyCDYVEZOHXOKOOM-UHFFFAOYSA-N
XLogP4.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The IUPAC name of 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine (CID 18187803) is 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine is CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCNCC1.
What is the InChIKey of 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The InChIKey is CDYVEZOHXOKOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-27-24(21-12-14-25-15-13-21)17-22(26-27)16-19-8-10-23(11-9-19)28-18-20-6-4-3-5-7-20/h3-11,17,21,25H,2,12-16,18H2,1H3.
What are the key properties of 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine?
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine has a molecular weight of 375.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine is sourced from PubChem (CID 18187803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).