N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C19H24N4O4 — CID 171144756

IUPACN-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CC(NC(=O)c1cccc(OC)c1C)C2
InChIInChI=1S/C19H24N4O4/c1-12-15(5-4-6-17(12)27-3)18(24)21-13-9-14-10-16(22-23(14)11-13)19(25)20-7-8-26-2/h4-6,10,13H,7-9,11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZXZZNMBFFRYSHZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.93
Rot. Bonds7

About N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 171144756) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID171144756
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CC(NC(=O)c1cccc(OC)c1C)C2
InChIInChI=1S/C19H24N4O4/c1-12-15(5-4-6-17(12)27-3)18(24)21-13-9-14-10-16(22-23(14)11-13)19(25)20-7-8-26-2/h4-6,10,13H,7-9,11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZXZZNMBFFRYSHZ-UHFFFAOYSA-N
XLogP0.93
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91894491
3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
3-methoxy-2-methylbenzohydrazide
CID 45091273
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-methoxy-2-methylbenzamide
CID 155500497
5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144674
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959844
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-methoxy-2-methylbenzamide
CID 91910741
6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 67402803
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 171144756) is N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is COCCNC(=O)c1cc2n(n1)CC(NC(=O)c1cccc(OC)c1C)C2.
What is the InChIKey of N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is ZXZZNMBFFRYSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-12-15(5-4-6-17(12)27-3)18(24)21-13-9-14-10-16(22-23(14)11-13)19(25)20-7-8-26-2/h4-6,10,13H,7-9,11H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 171144756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).