1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide

C11H17N3O2 — CID 115700182

IUPAC1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
SMILESC=C(C)COCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C11H17N3O2/c1-9(2)8-16-5-4-12-11(15)10-6-13-14(3)7-10/h6-7H,1,4-5,8H2,2-3H3,(H,12,15)
InChIKeyXUELHVQMAJMDOP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.74
Rot. Bonds6

About 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide

1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide (PubChem CID 115700182) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
PubChem CID115700182
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
SMILESC=C(C)COCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C11H17N3O2/c1-9(2)8-16-5-4-12-11(15)10-6-13-14(3)7-10/h6-7H,1,4-5,8H2,2-3H3,(H,12,15)
InChIKeyXUELHVQMAJMDOP-UHFFFAOYSA-N
XLogP0.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
CID 115628402
6-[1-[2-[2-[2-[2-[(1-methylpyrazole-4-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine-3-carboxylic acid
CID 146147087
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide (CID 115700182) is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide is C=C(C)COCCNC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide?
The InChIKey is XUELHVQMAJMDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(2)8-16-5-4-12-11(15)10-6-13-14(3)7-10/h6-7H,1,4-5,8H2,2-3H3,(H,12,15).
What are the key properties of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide?
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 115700182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).