N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide

C19H18N4O2 — CID 75500880

IUPACN-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1-c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C19H18N4O2/c24-18(20-12-13-21-19(25)17-10-11-22-23-17)16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPJKQVTZDYPCINE-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.24
Rot. Bonds6

About N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 75500880) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID75500880
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1-c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C19H18N4O2/c24-18(20-12-13-21-19(25)17-10-11-22-23-17)16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPJKQVTZDYPCINE-UHFFFAOYSA-N
XLogP2.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-phenylbenzamide
CID 21064565
N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75518713
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
CID 55128680
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63120557
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
CID 110017698
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide (CID 75500880) is N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCNC(=O)c1ccccc1-c1ccccc1)c1ccn[nH]1.
What is the InChIKey of N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is PJKQVTZDYPCINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(20-12-13-21-19(25)17-10-11-22-23-17)16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75500880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).