N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide

C20H16N4O2 — CID 122144672

IUPACN-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C20H16N4O2/c25-18(12-11-15-7-3-1-4-8-15)23-19(16-9-5-2-6-10-16)20(26)22-17-13-14-21-24-17/h1-10,13-14,19H,(H,23,25)(H2,21,22,24,26)
InChIKeyZJHVSSGZDWAJRN-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.26
Rot. Bonds4

About N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide

N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide (PubChem CID 122144672) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
PubChem CID122144672
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C20H16N4O2/c25-18(12-11-15-7-3-1-4-8-15)23-19(16-9-5-2-6-10-16)20(26)22-17-13-14-21-24-17/h1-10,13-14,19H,(H,23,25)(H2,21,22,24,26)
InChIKeyZJHVSSGZDWAJRN-UHFFFAOYSA-N
XLogP2.26
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide 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

2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
CID 119878696
2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
CID 124609043
(2R)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151754
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 95282131
(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75364810
(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
CID 120646335
4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 154851498
2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
CID 119878715
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119878694
N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide
CID 51053905

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide (CID 122144672) is N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide?
The InChIKey is ZJHVSSGZDWAJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-18(12-11-15-7-3-1-4-8-15)23-19(16-9-5-2-6-10-16)20(26)22-17-13-14-21-24-17/h1-10,13-14,19H,(H,23,25)(H2,21,22,24,26).
What are the key properties of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide?
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide has a molecular weight of 344.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 122144672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).