5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide

C9H16N4O3 — CID 110485264

IUPAC5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
SMILESCOC(CNC(=O)c1cnn(C)c1N)OC
InChIInChI=1S/C9H16N4O3/c1-13-8(10)6(4-12-13)9(14)11-5-7(15-2)16-3/h4,7H,5,10H2,1-3H3,(H,11,14)
InChIKeyDRDMVRKZWNMAJC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.65
Rot. Bonds5

About 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 110485264) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
PubChem CID110485264
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
SMILESCOC(CNC(=O)c1cnn(C)c1N)OC
InChIInChI=1S/C9H16N4O3/c1-13-8(10)6(4-12-13)9(14)11-5-7(15-2)16-3/h4,7H,5,10H2,1-3H3,(H,11,14)
InChIKeyDRDMVRKZWNMAJC-UHFFFAOYSA-N
XLogP-0.65
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
CID 104600874
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 97306008
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
CID 102673557
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
CID 104586972

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide (CID 110485264) is 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide is COC(CNC(=O)c1cnn(C)c1N)OC.
What is the InChIKey of 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is DRDMVRKZWNMAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-13-8(10)6(4-12-13)9(14)11-5-7(15-2)16-3/h4,7H,5,10H2,1-3H3,(H,11,14).
What are the key properties of 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110485264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).