N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

C23H24N6O3 — CID 24541013

IUPACN'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21
InChIInChI=1S/C23H24N6O3/c1-2-13-28-19-10-6-7-11-20(19)29(23(28)32)14-12-21(30)26-27-22(31)18-15-17(24-25-18)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,24,25)(H,26,30)(H,27,31)
InChIKeyDDVRNEAYTODOHA-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.45
Rot. Bonds7

About N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 24541013) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID24541013
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21
InChIInChI=1S/C23H24N6O3/c1-2-13-28-19-10-6-7-11-20(19)29(23(28)32)14-12-21(30)26-27-22(31)18-15-17(24-25-18)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,24,25)(H,26,30)(H,27,31)
InChIKeyDDVRNEAYTODOHA-UHFFFAOYSA-N
XLogP2.45
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 24541013) is N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is CCCn1c(=O)n(CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.
What is the InChIKey of N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is DDVRNEAYTODOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-2-13-28-19-10-6-7-11-20(19)29(23(28)32)14-12-21(30)26-27-22(31)18-15-17(24-25-18)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,24,25)(H,26,30)(H,27,31).
What are the key properties of N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 432.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 24541013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).