N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C19H18N4O4 — CID 26823823

IUPACN'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1OC
InChIInChI=1S/C19H18N4O4/c1-26-16-10-6-9-13(17(16)27-2)18(24)22-23-19(25)15-11-14(20-21-15)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyDLPGVIUJCUIZIZ-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.17
Rot. Bonds5

About N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 26823823) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID26823823
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1OC
InChIInChI=1S/C19H18N4O4/c1-26-16-10-6-9-13(17(16)27-2)18(24)22-23-19(25)15-11-14(20-21-15)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyDLPGVIUJCUIZIZ-UHFFFAOYSA-N
XLogP2.17
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 17486234
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889507
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 26823823) is N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is COc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1OC.
What is the InChIKey of N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is DLPGVIUJCUIZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-26-16-10-6-9-13(17(16)27-2)18(24)22-23-19(25)15-11-14(20-21-15)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 366.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 26823823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).