3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide

C24H24N6O3 — CID 26121098

IUPAC3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C24H24N6O3/c1-15-12-16(2)26-24(25-15)28-27-23(31)19-14-30(18-8-6-5-7-9-18)29-22(19)17-10-11-20(32-3)21(13-17)33-4/h5-14H,1-4H3,(H,27,31)(H,25,26,28)
InChIKeyVIAVVDIAMLHKLO-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.72
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide

3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 26121098) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID26121098
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C24H24N6O3/c1-15-12-16(2)26-24(25-15)28-27-23(31)19-14-30(18-8-6-5-7-9-18)29-22(19)17-10-11-20(32-3)21(13-17)33-4/h5-14H,1-4H3,(H,27,31)(H,25,26,28)
InChIKeyVIAVVDIAMLHKLO-UHFFFAOYSA-N
XLogP3.72
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
3-(3,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26715981
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide (CID 26121098) is 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2nc(C)cc(C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is VIAVVDIAMLHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15-12-16(2)26-24(25-15)28-27-23(31)19-14-30(18-8-6-5-7-9-18)29-22(19)17-10-11-20(32-3)21(13-17)33-4/h5-14H,1-4H3,(H,27,31)(H,25,26,28).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide?
3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 444.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 26121098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).