methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate

C19H15ClFN3O3 — CID 38239464

IUPACmethyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2C)ccc1Cl
InChIInChI=1S/C19H15ClFN3O3/c1-11-14(10-22-24(11)17-6-4-3-5-16(17)21)18(25)23-12-7-8-15(20)13(9-12)19(26)27-2/h3-10H,1-2H3,(H,23,25)
InChIKeyXJSGDTDPJWMOIB-UHFFFAOYSA-N
MW387.80 g/mol
LogP4.01
Rot. Bonds4

About methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate

methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate (PubChem CID 38239464) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
PubChem CID38239464
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Namemethyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2C)ccc1Cl
InChIInChI=1S/C19H15ClFN3O3/c1-11-14(10-22-24(11)17-6-4-3-5-16(17)21)18(25)23-12-7-8-15(20)13(9-12)19(26)27-2/h3-10H,1-2H3,(H,23,25)
InChIKeyXJSGDTDPJWMOIB-UHFFFAOYSA-N
XLogP4.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55902341
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate
CID 78860098
1-(2-fluorophenyl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrazole-4-carboxamide
CID 37186741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate (CID 38239464) is methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2C)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate?
The InChIKey is XJSGDTDPJWMOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-11-14(10-22-24(11)17-6-4-3-5-16(17)21)18(25)23-12-7-8-15(20)13(9-12)19(26)27-2/h3-10H,1-2H3,(H,23,25).
What are the key properties of methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate?
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate has a molecular weight of 387.80 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 38239464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).