ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate

C18H22N4O4 — CID 17404168

IUPACethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1
InChIInChI=1S/C18H22N4O4/c1-3-26-18(24)21-11-9-20(10-12-21)17(23)16-15(25-2)13-22(19-16)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3
InChIKeyCQCZISLIHMXAFU-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.80
Rot. Bonds4

About ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate (PubChem CID 17404168) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
PubChem CID17404168
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Nameethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1
InChIInChI=1S/C18H22N4O4/c1-3-26-18(24)21-11-9-20(10-12-21)17(23)16-15(25-2)13-22(19-16)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3
InChIKeyCQCZISLIHMXAFU-UHFFFAOYSA-N
XLogP1.80
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 134020644
1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 32538830
(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55716386
(4-ethoxy-1-phenylpyrazol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429819
N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 55904023
(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086740
ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 126854567
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523412
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate (CID 17404168) is ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1.
What is the InChIKey of ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is CQCZISLIHMXAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-26-18(24)21-11-9-20(10-12-21)17(23)16-15(25-2)13-22(19-16)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 17404168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).