methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate

C20H17F2N3O3 — CID 78860098

IUPACmethyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)c(F)cc1F
InChIInChI=1S/C20H17F2N3O3/c1-11-6-4-5-7-18(11)25-12(2)14(10-23-25)19(26)24-17-8-13(20(27)28-3)15(21)9-16(17)22/h4-10H,1-3H3,(H,24,26)
InChIKeyMSVWRHZTPCXZGK-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.81
Rot. Bonds4

About methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate

methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate (PubChem CID 78860098) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate
PubChem CID78860098
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Namemethyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)c(F)cc1F
InChIInChI=1S/C20H17F2N3O3/c1-11-6-4-5-7-18(11)25-12(2)14(10-23-25)19(26)24-17-8-13(20(27)28-3)15(21)9-16(17)22/h4-10H,1-3H3,(H,24,26)
InChIKeyMSVWRHZTPCXZGK-UHFFFAOYSA-N
XLogP3.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55887741
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate (CID 78860098) is methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate?
The InChIKey is MSVWRHZTPCXZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-11-6-4-5-7-18(11)25-12(2)14(10-23-25)19(26)24-17-8-13(20(27)28-3)15(21)9-16(17)22/h4-10H,1-3H3,(H,24,26).
What are the key properties of methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate?
methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate has a molecular weight of 385.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 78860098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).