N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide

C10H15N3O2 — CID 103855622

IUPACN-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
SMILESC=CCCOCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c1-2-3-5-15-6-4-11-10(14)9-7-12-13-8-9/h2,7-8H,1,3-6H2,(H,11,14)(H,12,13)
InChIKeyWCFYXEQANWSYBG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.73
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide

N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide (PubChem CID 103855622) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
PubChem CID103855622
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
SMILESC=CCCOCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c1-2-3-5-15-6-4-11-10(14)9-7-12-13-8-9/h2,7-8H,1,3-6H2,(H,11,14)(H,12,13)
InChIKeyWCFYXEQANWSYBG-UHFFFAOYSA-N
XLogP0.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
CID 79469118
N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
CID 103855656
6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 106406232
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
CID 103855719
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
N-(2-but-3-enoxyethyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114183453
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
CID 103855610
N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
CID 113339522
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
2-but-3-enoxyethylurea
CID 103852774

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide (CID 103855622) is N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide is C=CCCOCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WCFYXEQANWSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-3-5-15-6-4-11-10(14)9-7-12-13-8-9/h2,7-8H,1,3-6H2,(H,11,14)(H,12,13).
What are the key properties of N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide?
N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103855622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).