4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide

C8H12ClN3O2 — CID 6464363

IUPAC4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCOCCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H12ClN3O2/c1-12-7(6(9)5-11-12)8(13)10-3-4-14-2/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyZJILWWMIMXJWMJ-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.45
Rot. Bonds4

About 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 6464363) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
PubChem CID6464363
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCOCCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H12ClN3O2/c1-12-7(6(9)5-11-12)8(13)10-3-4-14-2/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyZJILWWMIMXJWMJ-UHFFFAOYSA-N
XLogP0.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-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-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide (CID 6464363) is 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide is COCCNC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZJILWWMIMXJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-12-7(6(9)5-11-12)8(13)10-3-4-14-2/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 217.66 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 6464363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).