ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate

C18H24FN3O2 — CID 129141289

IUPACethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C(C)C)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-6-24-18(23)16-13(5)21-22(11(2)3)17(16)20-12(4)14-7-9-15(19)10-8-14/h7-12,20H,6H2,1-5H3
InChIKeySOQWWRNCQGKVIA-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.26
Rot. Bonds6

About ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate

ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate (PubChem CID 129141289) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate
PubChem CID129141289
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Nameethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C(C)C)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-6-24-18(23)16-13(5)21-22(11(2)3)17(16)20-12(4)14-7-9-15(19)10-8-14/h7-12,20H,6H2,1-5H3
InChIKeySOQWWRNCQGKVIA-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-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 5-amino-1-(3-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2864438
ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate
CID 692341
ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate
CID 852511
ethyl 5-(benzylamino)-1-[(4-fluorophenyl)sulfonyl]-3-methyl-1H-pyrazole-4-carboxylate
CID 986235
ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate
CID 11391384
Ethyl 5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 2883968
Ethyl 3-cyano-2-(cyanomethyl)-7-methyl-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 171350039
Ethyl 3-anilino-1,5-dimethyl-1H-pyrazole-4-carboxylate
CID 13446792
Ethyl 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 2884602
methylethyl 5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazap erhydroine-2-carboxylate
CID 3133656
ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
CID 136790599
Ethyl 3-cyano-2-(cyanomethyl)-5-(4-fluorophenyl)-7-methyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 155805941

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate (CID 129141289) is ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(C(C)C)c1NC(C)c1ccc(F)cc1.
What is the InChIKey of ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is SOQWWRNCQGKVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-6-24-18(23)16-13(5)21-22(11(2)3)17(16)20-12(4)14-7-9-15(19)10-8-14/h7-12,20H,6H2,1-5H3.
What are the key properties of ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate?
ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 129141289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).