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

C24H22N4O3 — CID 43016709

IUPAC3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C)ccn2)cc1OC
InChIInChI=1S/C24H22N4O3/c1-16-11-12-25-22(13-16)26-24(29)19-15-28(18-7-5-4-6-8-18)27-23(19)17-9-10-20(30-2)21(14-17)31-3/h4-15H,1-3H3,(H,25,26,29)
InChIKeyPQPRZEVBRFJKTI-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.51
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 43016709) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
PubChem CID43016709
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C)ccn2)cc1OC
InChIInChI=1S/C24H22N4O3/c1-16-11-12-25-22(13-16)26-24(29)19-15-28(18-7-5-4-6-8-18)27-23(19)17-9-10-20(30-2)21(14-17)31-3/h4-15H,1-3H3,(H,25,26,29)
InChIKeyPQPRZEVBRFJKTI-UHFFFAOYSA-N
XLogP4.51
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 26121098
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 43016731
3-(3,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26715981
3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
CID 26101953

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide (CID 43016709) is 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C)ccn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is PQPRZEVBRFJKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-11-12-25-22(13-16)26-24(29)19-15-28(18-7-5-4-6-8-18)27-23(19)17-9-10-20(30-2)21(14-17)31-3/h4-15H,1-3H3,(H,25,26,29).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43016709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).