N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide

C19H18FN3O — CID 42686121

IUPACN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C19H18FN3O/c1-11-8-9-14(12(2)10-11)18-17(13(3)22-23-18)21-19(24)15-6-4-5-7-16(15)20/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyKXIXRPXGRFNBCN-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.39
Rot. Bonds3

About N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide

N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide (PubChem CID 42686121) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
PubChem CID42686121
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C19H18FN3O/c1-11-8-9-14(12(2)10-11)18-17(13(3)22-23-18)21-19(24)15-6-4-5-7-16(15)20/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyKXIXRPXGRFNBCN-UHFFFAOYSA-N
XLogP4.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42687165
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686116
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686125
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874323
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide (CID 42686121) is N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide is Cc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccccc2F)c(C)c1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide?
The InChIKey is KXIXRPXGRFNBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-11-8-9-14(12(2)10-11)18-17(13(3)22-23-18)21-19(24)15-6-4-5-7-16(15)20/h4-10H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide?
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide has a molecular weight of 323.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 42686121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).