N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C9H15N3O2 — CID 110849199

IUPACN-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-7(2)11-12-8(6)9(13)10-4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJMONWQXNFUMIAG-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.40
Rot. Bonds4

About N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110849199) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110849199
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-7(2)11-12-8(6)9(13)10-4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJMONWQXNFUMIAG-UHFFFAOYSA-N
XLogP0.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4,5-dimethyl-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 N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110849199) is N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is COCCNC(=O)c1n[nH]c(C)c1C.
What is the InChIKey of N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is JMONWQXNFUMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-7(2)11-12-8(6)9(13)10-4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110849199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).