ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate

C24H24FN3O5 — CID 55995302

IUPACethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)NC(CC(=O)OC)c3ccc(F)cc3)cc2)c1C
InChIInChI=1S/C24H24FN3O5/c1-4-33-24(31)20-14-26-28(15(20)2)19-11-7-17(8-12-19)23(30)27-21(13-22(29)32-3)16-5-9-18(25)10-6-16/h5-12,14,21H,4,13H2,1-3H3,(H,27,30)
InChIKeyMJJXQRXXNHGQMG-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.53
Rot. Bonds8

About ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate

ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate (PubChem CID 55995302) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
PubChem CID55995302
Molecular FormulaC24H24FN3O5
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Nameethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)NC(CC(=O)OC)c3ccc(F)cc3)cc2)c1C
InChIInChI=1S/C24H24FN3O5/c1-4-33-24(31)20-14-26-28(15(20)2)19-11-7-17(8-12-19)23(30)27-21(13-22(29)32-3)16-5-9-18(25)10-6-16/h5-12,14,21H,4,13H2,1-3H3,(H,27,30)
InChIKeyMJJXQRXXNHGQMG-UHFFFAOYSA-N
XLogP3.53
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-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

ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55879747
ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46403241
ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 78867948
methyl (3S)-3-(4-fluorophenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 52733979
ethyl 5-methyl-1-[4-(1-pyridin-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 55649826
methyl 3-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 55995055
ethyl 1-[4-[(2-hydroxy-4-methylpentyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 71849193
ethyl 1-[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070191
ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 47055633
ethyl 5-methyl-1-[4-[1-(3-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 55650310
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate (CID 55995302) is ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(=O)NC(CC(=O)OC)c3ccc(F)cc3)cc2)c1C.
What is the InChIKey of ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
The InChIKey is MJJXQRXXNHGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5/c1-4-33-24(31)20-14-26-28(15(20)2)19-11-7-17(8-12-19)23(30)27-21(13-22(29)32-3)16-5-9-18(25)10-6-16/h5-12,14,21H,4,13H2,1-3H3,(H,27,30).
What are the key properties of ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate has a molecular weight of 453.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 55995302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).