methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

C19H21FN4O5 — CID 168563431

IUPACmethyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2ccc(OCc3ccnn3C)c(F)c2)C(=O)N(CCO)C1
InChIInChI=1S/C19H21FN4O5/c1-23-13(5-6-21-23)11-29-16-4-3-12(9-15(16)20)22-17-14(19(27)28-2)10-24(7-8-25)18(17)26/h3-6,9,22,25H,7-8,10-11H2,1-2H3
InChIKeyCGGJSAQOCFWSGN-UHFFFAOYSA-N
MW404.40 g/mol
LogP0.81
Rot. Bonds8

About methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168563431) has the molecular formula C19H21FN4O5 and a molecular weight of 404.40 g/mol. Its IUPAC name is methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168563431
Molecular FormulaC19H21FN4O5
Molecular Weight404.40 g/mol
Exact Mass404.15
IUPAC Namemethyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2ccc(OCc3ccnn3C)c(F)c2)C(=O)N(CCO)C1
InChIInChI=1S/C19H21FN4O5/c1-23-13(5-6-21-23)11-29-16-4-3-12(9-15(16)20)22-17-14(19(27)28-2)10-24(7-8-25)18(17)26/h3-6,9,22,25H,7-8,10-11H2,1-2H3
InChIKeyCGGJSAQOCFWSGN-UHFFFAOYSA-N
XLogP0.81
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-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

methyl 4-[3-fluoro-4-(3-methoxypropoxy)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563719
methyl 4-(4-fluoro-3-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560909
methyl 4-(3,4-dimethoxyanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560924
methyl 4-[4-(dimethoxymethyl)-3-fluoroanilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168561727
1-[2-fluoro-4-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]phenyl]pyrazole-3-carboxylic acid
CID 168562839
methyl 4-[3-[(2-fluorophenyl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564606
methyl 4-(3,4-dibromoanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563561
methyl 1-(2-hydroxyethyl)-4-(3-methoxy-4-methylsulfanylanilino)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562709
5-[[2-chloro-4-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]phenoxy]methyl]furan-2-carboxylic acid
CID 168562827
4-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]-2-methoxybenzoic acid
CID 168565224
methyl 4-(3H-benzimidazol-5-ylamino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562430
methyl 4-[4-(difluoromethyl)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168561734

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (CID 168563431) is methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2ccc(OCc3ccnn3C)c(F)c2)C(=O)N(CCO)C1.
What is the InChIKey of methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is CGGJSAQOCFWSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O5/c1-23-13(5-6-21-23)11-29-16-4-3-12(9-15(16)20)22-17-14(19(27)28-2)10-24(7-8-25)18(17)26/h3-6,9,22,25H,7-8,10-11H2,1-2H3.
What are the key properties of methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 404.40 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168563431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).