N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

C26H23N3O4 — CID 29206588

IUPACN-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C26H23N3O4/c1-17(30)18-8-7-9-19(14-18)27-26(31)23-16-29(20-10-5-4-6-11-20)28-25(23)22-13-12-21(32-2)15-24(22)33-3/h4-16H,1-3H3,(H,27,31)
InChIKeyVPPOWFRVCJOETD-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.01
Rot. Bonds7

About N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 29206588) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID29206588
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C26H23N3O4/c1-17(30)18-8-7-9-19(14-18)27-26(31)23-16-29(20-10-5-4-6-11-20)28-25(23)22-13-12-21(32-2)15-24(22)33-3/h4-16H,1-3H3,(H,27,31)
InChIKeyVPPOWFRVCJOETD-UHFFFAOYSA-N
XLogP5.01
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1-phenylpyrazole-4-carboxamide
CID 29201760
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 30157703
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
3-(2,4-dimethoxyphenyl)-N-[2-(ethylamino)ethyl]-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119507189
N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55611029
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 29206588) is N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(C)=O)c2)c(OC)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VPPOWFRVCJOETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-17(30)18-8-7-9-19(14-18)27-26(31)23-16-29(20-10-5-4-6-11-20)28-25(23)22-13-12-21(32-2)15-24(22)33-3/h4-16H,1-3H3,(H,27,31).
What are the key properties of N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 29206588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).