1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide

C15H17N3O2 — CID 110373154

IUPAC1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(C)n(-c2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O2/c1-4-8-16-15(19)14-9-11(2)18(17-14)12-6-5-7-13(10-12)20-3/h4-7,9-10H,1,8H2,2-3H3,(H,16,19)
InChIKeyFZOUZEQXNAKXTK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.11
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 110373154) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID110373154
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(C)n(-c2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O2/c1-4-8-16-15(19)14-9-11(2)18(17-14)12-6-5-7-13(10-12)20-3/h4-7,9-10H,1,8H2,2-3H3,(H,16,19)
InChIKeyFZOUZEQXNAKXTK-UHFFFAOYSA-N
XLogP2.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 110373177
N-(2-ethoxyphenyl)-1-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373235
6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094128
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide (CID 110373154) is 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide is C=CCNC(=O)c1cc(C)n(-c2cccc(OC)c2)n1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is FZOUZEQXNAKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-8-16-15(19)14-9-11(2)18(17-14)12-6-5-7-13(10-12)20-3/h4-7,9-10H,1,8H2,2-3H3,(H,16,19).
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 110373154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).