methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate

C19H19FN4O3 — CID 39642778

IUPACmethyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C19H19FN4O3/c1-27-17(25)9-6-10-21-18(26)14-13-22-24(16-8-3-2-7-15(16)20)19(14)23-11-4-5-12-23/h2-5,7-8,11-13H,6,9-10H2,1H3,(H,21,26)
InChIKeyWLYKKOKPANWJNZ-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.49
Rot. Bonds7

About methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate

methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate (PubChem CID 39642778) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
PubChem CID39642778
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Namemethyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C19H19FN4O3/c1-27-17(25)9-6-10-21-18(26)14-13-22-24(16-8-3-2-7-15(16)20)19(14)23-11-4-5-12-23/h2-5,7-8,11-13H,6,9-10H2,1H3,(H,21,26)
InChIKeyWLYKKOKPANWJNZ-UHFFFAOYSA-N
XLogP2.49
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate 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

methyl 3-[[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]propanoate
CID 86207143
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 39628848
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732
2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55582276
1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47081624
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33093022
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate?
The IUPAC name of methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate (CID 39642778) is methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate?
The canonical SMILES for methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate is COC(=O)CCCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate?
The InChIKey is WLYKKOKPANWJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-27-17(25)9-6-10-21-18(26)14-13-22-24(16-8-3-2-7-15(16)20)19(14)23-11-4-5-12-23/h2-5,7-8,11-13H,6,9-10H2,1H3,(H,21,26).
What are the key properties of methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate?
methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate has a molecular weight of 370.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate is sourced from PubChem (CID 39642778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).