4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide

C9H16N4O2 — CID 65354874

IUPAC4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
SMILESCCOCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4O2/c1-3-15-5-4-11-9(14)8-7(10)6-13(2)12-8/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyRASYOKXURHVOBU-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds5

About 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65354874) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
PubChem CID65354874
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
SMILESCCOCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4O2/c1-3-15-5-4-11-9(14)8-7(10)6-13(2)12-8/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyRASYOKXURHVOBU-UHFFFAOYSA-N
XLogP-0.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide (CID 65354874) is 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide is CCOCCNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is RASYOKXURHVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-15-5-4-11-9(14)8-7(10)6-13(2)12-8/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).