N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C7H11N3O3 — CID 112513811

IUPACN-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H11N3O3/c1-13-3-2-8-7(12)5-4-6(11)10-9-5/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11)
InChIKeyPBLRSBXXBPJWHO-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.92
Rot. Bonds4

About N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513811) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513811
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H11N3O3/c1-13-3-2-8-7(12)5-4-6(11)10-9-5/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11)
InChIKeyPBLRSBXXBPJWHO-UHFFFAOYSA-N
XLogP-0.92
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.92
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-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 154847148
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 91611511
N-ethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466350
N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600660
5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
CID 112513801
5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
CID 112513802
N-(2-methylpropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513805
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 45121471

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 112513811) is N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is COCCNC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is PBLRSBXXBPJWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-13-3-2-8-7(12)5-4-6(11)10-9-5/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11).
What are the key properties of N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).