1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide

C14H17N3O2 — CID 27659405

IUPAC1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H17N3O2/c1-19-8-7-15-14(18)13-9-16-17(11-13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,15,18)
InChIKeyAKELSVROALTZHX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.31
Rot. Bonds6

About 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide

1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide (PubChem CID 27659405) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
PubChem CID27659405
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H17N3O2/c1-19-8-7-15-14(18)13-9-16-17(11-13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,15,18)
InChIKeyAKELSVROALTZHX-UHFFFAOYSA-N
XLogP1.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.31
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-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-(2-benzylsulfanylethyl)pyrazole-4-carboxamide
CID 9470407
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
1-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazole-4-carboxamide
CID 39684663
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 18157170
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide (CID 27659405) is 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide is COCCNC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The InChIKey is AKELSVROALTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-8-7-15-14(18)13-9-16-17(11-13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,15,18).
What are the key properties of 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide?
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 27659405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).