ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate

C22H24FN5O3 — CID 46277002

IUPACethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1
InChIInChI=1S/C22H24FN5O3/c1-3-31-22(30)27-14-12-26(13-15-27)21(29)19-16(2)24-28(18-8-6-17(23)7-9-18)20(19)25-10-4-5-11-25/h4-11H,3,12-15H2,1-2H3
InChIKeyMNWXRUYVGSMDCX-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.02
Rot. Bonds4

About ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate (PubChem CID 46277002) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate
PubChem CID46277002
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Nameethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1
InChIInChI=1S/C22H24FN5O3/c1-3-31-22(30)27-14-12-26(13-15-27)21(29)19-16(2)24-28(18-8-6-17(23)7-9-18)20(19)25-10-4-5-11-25/h4-11H,3,12-15H2,1-2H3
InChIKeyMNWXRUYVGSMDCX-UHFFFAOYSA-N
XLogP3.02
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-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

(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 20892633
ethyl 4-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 6623485
ethyl (3R)-1-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 92706233
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915461
ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 172672823
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915242
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915518
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 8899117
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915543

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate (CID 46277002) is ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1.
What is the InChIKey of ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is MNWXRUYVGSMDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-3-31-22(30)27-14-12-26(13-15-27)21(29)19-16(2)24-28(18-8-6-17(23)7-9-18)20(19)25-10-4-5-11-25/h4-11H,3,12-15H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 46277002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).