N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C18H16N4O2 — CID 26823847

IUPACN'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C18H16N4O2/c1-12-6-5-9-14(10-12)17(23)21-22-18(24)16-11-15(19-20-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyYTJYYTONTMXSOX-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.46
Rot. Bonds3

About N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 26823847) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID26823847
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C18H16N4O2/c1-12-6-5-9-14(10-12)17(23)21-22-18(24)16-11-15(19-20-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyYTJYYTONTMXSOX-UHFFFAOYSA-N
XLogP2.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 27689349
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 17486234
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823823
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889507

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 26823847) is N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is YTJYYTONTMXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-6-5-9-14(10-12)17(23)21-22-18(24)16-11-15(19-20-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 320.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 26823847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).