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

C13H13N3O — CID 60756667

IUPAC1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O/c1-2-9-14-13(17)12-8-10-16(15-12)11-6-4-3-5-7-11/h2-8,10H,1,9H2,(H,14,17)
InChIKeyVOIDZCRULGWQRW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.79
Rot. Bonds4

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

1-phenyl-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 60756667) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID60756667
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O/c1-2-9-14-13(17)12-8-10-16(15-12)11-6-4-3-5-7-11/h2-8,10H,1,9H2,(H,14,17)
InChIKeyVOIDZCRULGWQRW-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.79
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-(2-nitrophenyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 64590411
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47849771
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide
CID 100820037
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
2-[(1-phenylpyrazol-3-yl)methylsulfanyl]-N-prop-2-enylacetamide
CID 71878748
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174
1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882197

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide (CID 60756667) is 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide is C=CCNC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is VOIDZCRULGWQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-9-14-13(17)12-8-10-16(15-12)11-6-4-3-5-7-11/h2-8,10H,1,9H2,(H,14,17).
What are the key properties of 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide?
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 60756667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).