2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide

C19H16ClF2N3O — CID 99696284

IUPAC2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide
SMILESCc1ccc(C)c(-n2ncc(NC(=O)c3cc(F)c(F)cc3Cl)c2C)c1
InChIInChI=1S/C19H16ClF2N3O/c1-10-4-5-11(2)18(6-10)25-12(3)17(9-23-25)24-19(26)13-7-15(21)16(22)8-14(13)20/h4-9H,1-3H3,(H,24,26)
InChIKeyLTBFCAWGOARJDI-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.98
Rot. Bonds3

About 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide

2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide (PubChem CID 99696284) has the molecular formula C19H16ClF2N3O and a molecular weight of 375.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide
PubChem CID99696284
Molecular FormulaC19H16ClF2N3O
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide
SMILESCc1ccc(C)c(-n2ncc(NC(=O)c3cc(F)c(F)cc3Cl)c2C)c1
InChIInChI=1S/C19H16ClF2N3O/c1-10-4-5-11(2)18(6-10)25-12(3)17(9-23-25)24-19(26)13-7-15(21)16(22)8-14(13)20/h4-9H,1-3H3,(H,24,26)
InChIKeyLTBFCAWGOARJDI-UHFFFAOYSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99696822
2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
CID 86802649
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide
CID 99696230
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
CID 99612955
3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122087413
1-(2,5-dimethylphenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
CID 99590027
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
2-chloro-N-(2-fluorophenyl)-5-methylbenzamide
CID 122630269
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide (CID 99696284) is 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide is Cc1ccc(C)c(-n2ncc(NC(=O)c3cc(F)c(F)cc3Cl)c2C)c1.
What is the InChIKey of 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide?
The InChIKey is LTBFCAWGOARJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O/c1-10-4-5-11(2)18(6-10)25-12(3)17(9-23-25)24-19(26)13-7-15(21)16(22)8-14(13)20/h4-9H,1-3H3,(H,24,26).
What are the key properties of 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide?
2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide has a molecular weight of 375.81 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide is sourced from PubChem (CID 99696284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).