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

C8H13N3O2 — CID 19474676

IUPACN-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-11-6-7(5-10-11)8(12)9-3-4-13-2/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyCRPRTKJYKYDKKA-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.20
Rot. Bonds4

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

N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 19474676) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
PubChem CID19474676
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-11-6-7(5-10-11)8(12)9-3-4-13-2/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyCRPRTKJYKYDKKA-UHFFFAOYSA-N
XLogP-0.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
CID 115700182
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
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
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide (CID 19474676) is N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide is COCCNC(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is CRPRTKJYKYDKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-6-7(5-10-11)8(12)9-3-4-13-2/h5-6H,3-4H2,1-2H3,(H,9,12).
What are the key properties of N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).