4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide

C11H20N4O2 — CID 62076097

IUPAC4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCOCC)c1N
InChIInChI=1S/C11H20N4O2/c1-3-5-8-9(12)10(15-14-8)11(16)13-6-7-17-4-2/h3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYQCLWUFWWFXHRP-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.71
Rot. Bonds7

About 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62076097) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62076097
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCOCC)c1N
InChIInChI=1S/C11H20N4O2/c1-3-5-8-9(12)10(15-14-8)11(16)13-6-7-17-4-2/h3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYQCLWUFWWFXHRP-UHFFFAOYSA-N
XLogP0.71
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 62076097) is 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCCOCC)c1N.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YQCLWUFWWFXHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-5-8-9(12)10(15-14-8)11(16)13-6-7-17-4-2/h3-7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).