3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide

C21H23N3O — CID 42754882

IUPAC3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-4-12-22-21(25)20-14-19(17-11-10-15(2)16(3)13-17)23-24(20)18-8-6-5-7-9-18/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)
InChIKeyJGQHULWOEGBCPY-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.30
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide

3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide (PubChem CID 42754882) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
PubChem CID42754882
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-4-12-22-21(25)20-14-19(17-11-10-15(2)16(3)13-17)23-24(20)18-8-6-5-7-9-18/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)
InChIKeyJGQHULWOEGBCPY-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 5178195
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
CID 4015371
3-(3,4-dimethylphenyl)-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3934182
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 52903062
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide (CID 42754882) is 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide?
The InChIKey is JGQHULWOEGBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-12-22-21(25)20-14-19(17-11-10-15(2)16(3)13-17)23-24(20)18-8-6-5-7-9-18/h5-11,13-14H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide?
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 42754882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).