3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide

C9H16N4O2 — CID 122171297

IUPAC3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
SMILESCCn1nc(N)cc1C(=O)NCCOC
InChIInChI=1S/C9H16N4O2/c1-3-13-7(6-8(10)12-13)9(14)11-4-5-15-2/h6H,3-5H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyOQOYBFKZPSXRGP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.14
Rot. Bonds5

About 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide

3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide (PubChem CID 122171297) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
PubChem CID122171297
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
SMILESCCn1nc(N)cc1C(=O)NCCOC
InChIInChI=1S/C9H16N4O2/c1-3-13-7(6-8(10)12-13)9(14)11-4-5-15-2/h6H,3-5H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyOQOYBFKZPSXRGP-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
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

3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 122171299
3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide
CID 132586373
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
CID 122171333
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765
2-ethyl-5-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-3-carboxamide
CID 66122627
1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide (CID 122171297) is 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide is CCn1nc(N)cc1C(=O)NCCOC.
What is the InChIKey of 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide?
The InChIKey is OQOYBFKZPSXRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-13-7(6-8(10)12-13)9(14)11-4-5-15-2/h6H,3-5H2,1-2H3,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide?
3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 122171297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).