N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide

C17H19N5O3 — CID 127266581

IUPACN'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide
SMILESCC(=O)NNC(=O)C1CCCN1C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C17H19N5O3/c1-12(23)19-20-16(24)14-8-5-9-21(14)17(25)15-10-18-11-22(15)13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyUIYMBSXEJHWAIN-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.64
Rot. Bonds3

About N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide

N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide (PubChem CID 127266581) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide
PubChem CID127266581
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide
SMILESCC(=O)NNC(=O)C1CCCN1C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C17H19N5O3/c1-12(23)19-20-16(24)14-8-5-9-21(14)17(25)15-10-18-11-22(15)13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyUIYMBSXEJHWAIN-UHFFFAOYSA-N
XLogP0.64
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-phenylimidazol-4-yl)methanone
CID 97016712
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95319035
3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359231
(2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide
CID 94174663
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
1-[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 56816830
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 119664523
(2S)-N-cyclopropyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 51727331

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide (CID 127266581) is N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide is CC(=O)NNC(=O)C1CCCN1C(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide?
The InChIKey is UIYMBSXEJHWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12(23)19-20-16(24)14-8-5-9-21(14)17(25)15-10-18-11-22(15)13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide?
N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide has a molecular weight of 341.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 127266581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).