N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide

C9H15N3O3 — CID 103728119

IUPACN-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOCCONC(=O)c1cn(C)nc1C
InChIInChI=1S/C9H15N3O3/c1-7-8(6-12(2)10-7)9(13)11-15-5-4-14-3/h6H,4-5H2,1-3H3,(H,11,13)
InChIKeyWBGBBOFJFUFVFR-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.04
Rot. Bonds5

About N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide

N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 103728119) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID103728119
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOCCONC(=O)c1cn(C)nc1C
InChIInChI=1S/C9H15N3O3/c1-7-8(6-12(2)10-7)9(13)11-15-5-4-14-3/h6H,4-5H2,1-3H3,(H,11,13)
InChIKeyWBGBBOFJFUFVFR-UHFFFAOYSA-N
XLogP0.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.04
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

N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide
CID 103901265
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1-(1,3-dimethylpyrazol-4-yl)-5-methoxypentane-1,3-dione
CID 65197098
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798
N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102802456
CID 91064123
CID 91064123
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide (CID 103728119) is N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide is COCCONC(=O)c1cn(C)nc1C.
What is the InChIKey of N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is WBGBBOFJFUFVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7-8(6-12(2)10-7)9(13)11-15-5-4-14-3/h6H,4-5H2,1-3H3,(H,11,13).
What are the key properties of N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103728119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).