N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide

C13H14N4O3 — CID 711539

IUPACN'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C13H14N4O3/c1-8-7-11(15-14-8)13(19)17-16-12(18)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyAMZMAEUTFNYBIR-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.80
Rot. Bonds3

About N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide

N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 711539) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID711539
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C13H14N4O3/c1-8-7-11(15-14-8)13(19)17-16-12(18)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyAMZMAEUTFNYBIR-UHFFFAOYSA-N
XLogP0.80
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 589142
3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 1243311
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 785587
5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide (CID 711539) is N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1.
What is the InChIKey of N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is AMZMAEUTFNYBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-7-11(15-14-8)13(19)17-16-12(18)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 274.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybenzoyl)-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 711539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).