N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide

C23H26N4O4 — CID 9328488

IUPACN'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)c1
InChIInChI=1S/C23H26N4O4/c1-14-6-8-17(9-7-14)13-27-16(3)21(15(2)26-27)23(29)25-24-22(28)18-10-19(30-4)12-20(11-18)31-5/h6-12H,13H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyKGAXTAKOBDSKQW-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.95
Rot. Bonds6

About N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide

N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide (PubChem CID 9328488) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide
PubChem CID9328488
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)c1
InChIInChI=1S/C23H26N4O4/c1-14-6-8-17(9-7-14)13-27-16(3)21(15(2)26-27)23(29)25-24-22(28)18-10-19(30-4)12-20(11-18)31-5/h6-12H,13H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyKGAXTAKOBDSKQW-UHFFFAOYSA-N
XLogP2.95
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
N-(4-methoxyphenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9042194
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
methyl 4-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]benzoate
CID 9068802
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide
CID 9083217
[2-(4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7690785
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-piperidin-1-ylpyrazole-4-carboxamide
CID 9271721
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide
CID 8939553
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
N-[1-(4-ethoxyphenyl)ethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18270907

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide?
The IUPAC name of N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide (CID 9328488) is N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)c1.
What is the InChIKey of N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide?
The InChIKey is KGAXTAKOBDSKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14-6-8-17(9-7-14)13-27-16(3)21(15(2)26-27)23(29)25-24-22(28)18-10-19(30-4)12-20(11-18)31-5/h6-12H,13H2,1-5H3,(H,24,28)(H,25,29).
What are the key properties of N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide?
N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide has a molecular weight of 422.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 9328488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).