1-ethyl-N-prop-2-enylpyrazole-3-carboxamide

C9H13N3O — CID 19262174

IUPAC1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(CC)n1
InChIInChI=1S/C9H13N3O/c1-3-6-10-9(13)8-5-7-12(4-2)11-8/h3,5,7H,1,4,6H2,2H3,(H,10,13)
InChIKeySHKVWGUIYAQIKY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.82
Rot. Bonds4

About 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide

1-ethyl-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 19262174) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID19262174
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(CC)n1
InChIInChI=1S/C9H13N3O/c1-3-6-10-9(13)8-5-7-12(4-2)11-8/h3,5,7H,1,4,6H2,2H3,(H,10,13)
InChIKeySHKVWGUIYAQIKY-UHFFFAOYSA-N
XLogP0.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 19270743
N,1-diethylpyrazole-3-carboxamide
CID 19262384
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19280166
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
CID 19621049
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
1-[(2-nitrophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19273956
1-[(2-chloro-5-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19275546
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
1-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 91917578
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide
CID 125160202

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide (CID 19262174) is 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide is C=CCNC(=O)c1ccn(CC)n1.
What is the InChIKey of 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is SHKVWGUIYAQIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-6-10-9(13)8-5-7-12(4-2)11-8/h3,5,7H,1,4,6H2,2H3,(H,10,13).
What are the key properties of 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 19262174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).