4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide

C9H15N3O2 — CID 54393293

IUPAC4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide
SMILESCCc1cn(C)nc1C(=O)N(C)OC
InChIInChI=1S/C9H15N3O2/c1-5-7-6-11(2)10-8(7)9(13)12(3)14-4/h6H,5H2,1-4H3
InChIKeyVIEKEBKHGNBHDW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.62
Rot. Bonds3

About 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide

4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 54393293) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide
PubChem CID54393293
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide
SMILESCCc1cn(C)nc1C(=O)N(C)OC
InChIInChI=1S/C9H15N3O2/c1-5-7-6-11(2)10-8(7)9(13)12(3)14-4/h6H,5H2,1-4H3
InChIKeyVIEKEBKHGNBHDW-UHFFFAOYSA-N
XLogP0.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
CID 167451248
4-bromo-N,N-di(butan-2-yl)-1-methylpyrazole-3-carboxamide
CID 19575677
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 58072435
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 133054949
3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
CID 130752501
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 17020502
3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86666725
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
methyl 4-(3-hydroxy-3-methoxypropyl)-1-methylpyrazole-3-carboxylate
CID 178053376
2-[ethyl-[(3-ethyl-1-methylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 112671409

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide (CID 54393293) is 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide is CCc1cn(C)nc1C(=O)N(C)OC.
What is the InChIKey of 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is VIEKEBKHGNBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5-7-6-11(2)10-8(7)9(13)12(3)14-4/h6H,5H2,1-4H3.
What are the key properties of 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide?
4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 54393293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).