ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate

C21H31N3O3 — CID 168886594

IUPACethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
SMILESCC.CCOC(=O)N1CCC(c2cnn(OCc3ccccc3)c2C)CC1
InChIInChI=1S/C19H25N3O3.C2H6/c1-3-24-19(23)21-11-9-17(10-12-21)18-13-20-22(15(18)2)25-14-16-7-5-4-6-8-16;1-2/h4-8,13,17H,3,9-12,14H2,1-2H3;1-2H3
InChIKeyWMQMDBOPPGWHJI-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.18
Rot. Bonds5

About ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate

ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate (PubChem CID 168886594) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
PubChem CID168886594
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Nameethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
SMILESCC.CCOC(=O)N1CCC(c2cnn(OCc3ccccc3)c2C)CC1
InChIInChI=1S/C19H25N3O3.C2H6/c1-3-24-19(23)21-11-9-17(10-12-21)18-13-20-22(15(18)2)25-14-16-7-5-4-6-8-16;1-2/h4-8,13,17H,3,9-12,14H2,1-2H3;1-2H3
InChIKeyWMQMDBOPPGWHJI-UHFFFAOYSA-N
XLogP4.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[1-phenylmethoxy-5-(3-pyridin-4-ylphenyl)pyrazol-4-yl]piperidine-1-carboxylate
CID 168886626
ethyl 4-(3-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
CID 46204855
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
3-O-benzyl 7-O-ethyl 3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate
CID 57155187
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-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
CID 145307834
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate (CID 168886594) is ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate is CC.CCOC(=O)N1CCC(c2cnn(OCc3ccccc3)c2C)CC1.
What is the InChIKey of ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
The InChIKey is WMQMDBOPPGWHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.C2H6/c1-3-24-19(23)21-11-9-17(10-12-21)18-13-20-22(15(18)2)25-14-16-7-5-4-6-8-16;1-2/h4-8,13,17H,3,9-12,14H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate?
ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 168886594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).