1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide

C11H19N3O3 — CID 82721370

IUPAC1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NOCCOC)n(CC)n1
InChIInChI=1S/C11H19N3O3/c1-4-9-8-10(14(5-2)12-9)11(15)13-17-7-6-16-3/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyVNZDOILNZQFIDO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.77
Rot. Bonds7

About 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide

1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide (PubChem CID 82721370) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
PubChem CID82721370
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NOCCOC)n(CC)n1
InChIInChI=1S/C11H19N3O3/c1-4-9-8-10(14(5-2)12-9)11(15)13-17-7-6-16-3/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyVNZDOILNZQFIDO-UHFFFAOYSA-N
XLogP0.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66119641
N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
CID 66121113
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide (CID 82721370) is 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide is CCc1cc(C(=O)NOCCOC)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide?
The InChIKey is VNZDOILNZQFIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-9-8-10(14(5-2)12-9)11(15)13-17-7-6-16-3/h8H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide?
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide is sourced from PubChem (CID 82721370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).