5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide

C17H19N5O3 — CID 60521215

IUPAC5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)NC(C)(CCc3ccccc3)C2=O)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-11-10-13(20-19-11)14(23)21-22-15(24)17(2,18-16(22)25)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,18,25)(H,19,20)(H,21,23)
InChIKeyYATLUAZFKIOFKS-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.31
Rot. Bonds5

About 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide

5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide (PubChem CID 60521215) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide
PubChem CID60521215
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)NC(C)(CCc3ccccc3)C2=O)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-11-10-13(20-19-11)14(23)21-22-15(24)17(2,18-16(22)25)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,18,25)(H,19,20)(H,21,23)
InChIKeyYATLUAZFKIOFKS-UHFFFAOYSA-N
XLogP1.31
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indazole-3-carboxamide
CID 31438081
7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46655285
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-methylsulfonylbenzamide
CID 42920186
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide
CID 42920191
3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
CID 42920177
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 40897872
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
2,3-dimethyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indole-5-carboxamide
CID 31341167
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 31482332

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide (CID 60521215) is 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NN2C(=O)NC(C)(CCc3ccccc3)C2=O)n[nH]1.
What is the InChIKey of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is YATLUAZFKIOFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-10-13(20-19-11)14(23)21-22-15(24)17(2,18-16(22)25)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,18,25)(H,19,20)(H,21,23).
What are the key properties of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60521215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).