ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate

C19H24N4O5 — CID 42591314

IUPACethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(COc3cccc(OC)c3)[nH]n2)CC1
InChIInChI=1S/C19H24N4O5/c1-3-27-19(25)23-9-7-22(8-10-23)18(24)17-11-14(20-21-17)13-28-16-6-4-5-15(12-16)26-2/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,20,21)
InChIKeyOALPTXZCLWPMTE-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.91
Rot. Bonds6

About ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 42591314) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID42591314
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Nameethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(COc3cccc(OC)c3)[nH]n2)CC1
InChIInChI=1S/C19H24N4O5/c1-3-27-19(25)23-9-7-22(8-10-23)18(24)17-11-14(20-21-17)13-28-16-6-4-5-15(12-16)26-2/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,20,21)
InChIKeyOALPTXZCLWPMTE-UHFFFAOYSA-N
XLogP1.91
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 45191198
N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 56745555
1-[3-[[3-(thiomorpholine-4-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone
CID 42520699
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
5-[(3-methoxyphenoxy)methyl]-N-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 56756097
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95217455
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
CID 25285402
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56750387
1-[5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]-1,4-diazepan-5-one
CID 56741863
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
CID 92684270
ethyl 4-[4-[(3-methylphenoxy)methyl]benzoyl]piperazine-1-carboxylate
CID 2976842
[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 25287398

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate (CID 42591314) is ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(COc3cccc(OC)c3)[nH]n2)CC1.
What is the InChIKey of ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is OALPTXZCLWPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-3-27-19(25)23-9-7-22(8-10-23)18(24)17-11-14(20-21-17)13-28-16-6-4-5-15(12-16)26-2/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 42591314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).