methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate

C20H18FN3O4 — CID 19342220

IUPACmethyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(COc3ccc(F)cc3)cc2)cnn1C
InChIInChI=1S/C20H18FN3O4/c1-24-18(20(26)27-2)17(11-22-24)23-19(25)14-5-3-13(4-6-14)12-28-16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyIHKNNGYXOYBUJK-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.18
Rot. Bonds6

About methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate

methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate (PubChem CID 19342220) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
PubChem CID19342220
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Namemethyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(COc3ccc(F)cc3)cc2)cnn1C
InChIInChI=1S/C20H18FN3O4/c1-24-18(20(26)27-2)17(11-22-24)23-19(25)14-5-3-13(4-6-14)12-28-16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyIHKNNGYXOYBUJK-UHFFFAOYSA-N
XLogP3.18
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342284
methyl 1-methyl-4-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342126
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997
methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19338688
methyl 1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxylate
CID 19342119
methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
methyl 1-methyl-4-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342224
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961623
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341922
methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342140
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate (CID 19342220) is methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)c2ccc(COc3ccc(F)cc3)cc2)cnn1C.
What is the InChIKey of methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate?
The InChIKey is IHKNNGYXOYBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-24-18(20(26)27-2)17(11-22-24)23-19(25)14-5-3-13(4-6-14)12-28-16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate?
methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate has a molecular weight of 383.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19342220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).