ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate

C24H27N3O3 — CID 46204855

IUPACethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(OCc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N3O3/c1-2-29-24(28)26-15-13-20(14-16-26)22-17-27(30-18-19-9-5-3-6-10-19)25-23(22)21-11-7-4-8-12-21/h3-12,17,20H,2,13-16,18H2,1H3
InChIKeyKLLAHIXNNCYFGF-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.51
Rot. Bonds6

About ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate

ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate (PubChem CID 46204855) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
PubChem CID46204855
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(OCc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N3O3/c1-2-29-24(28)26-15-13-20(14-16-26)22-17-27(30-18-19-9-5-3-6-10-19)25-23(22)21-11-7-4-8-12-21/h3-12,17,20H,2,13-16,18H2,1H3
InChIKeyKLLAHIXNNCYFGF-UHFFFAOYSA-N
XLogP4.51
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
CID 168886594
ethyl 4-[1-phenylmethoxy-5-(3-pyridin-4-ylphenyl)pyrazol-4-yl]piperidine-1-carboxylate
CID 168886626
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate
CID 67438660
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
CID 67401817
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
benzyl 4-[ethyl(methylsulfanyl)amino]piperidine-1-carboxylate
CID 143775945
3-O-benzyl 7-O-ethyl 3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate
CID 57155187

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate (CID 46204855) is ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cn(OCc3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
The InChIKey is KLLAHIXNNCYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-29-24(28)26-15-13-20(14-16-26)22-17-27(30-18-19-9-5-3-6-10-19)25-23(22)21-11-7-4-8-12-21/h3-12,17,20H,2,13-16,18H2,1H3.
What are the key properties of ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 46204855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).