1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide

C20H20FN3O — CID 35599064

IUPAC1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C20H20FN3O/c1-13-9-10-17(21)18(11-13)22-20(25)19-14(2)23-24(15(19)3)12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyACJBJHZCVZUMLP-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.25
Rot. Bonds4

About 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 35599064) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID35599064
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C20H20FN3O/c1-13-9-10-17(21)18(11-13)22-20(25)19-14(2)23-24(15(19)3)12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyACJBJHZCVZUMLP-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 9179547
1-benzyl-N-[3-(carbamoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55539291
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
N-(4-fluoro-3-nitrophenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9207770
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9270355
1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 56532719
[2-(2-fluoroanilino)-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7690816
N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
CID 24563594

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 35599064) is 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1ccc(F)c(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1.
What is the InChIKey of 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ACJBJHZCVZUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13-9-10-17(21)18(11-13)22-20(25)19-14(2)23-24(15(19)3)12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 35599064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).