N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide

C13H13N3O — CID 166408337

IUPACN-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-n2ccc(C)n2)cc1
InChIInChI=1S/C13H13N3O/c1-3-13(17)14-11-4-6-12(7-5-11)16-9-8-10(2)15-16/h3-9H,1H2,2H3,(H,14,17)
InChIKeyPXXSFBMVONKSLF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.31
Rot. Bonds3

About N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide

N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 166408337) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide
PubChem CID166408337
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-n2ccc(C)n2)cc1
InChIInChI=1S/C13H13N3O/c1-3-13(17)14-11-4-6-12(7-5-11)16-9-8-10(2)15-16/h3-9H,1H2,2H3,(H,14,17)
InChIKeyPXXSFBMVONKSLF-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,2,4-triazol-4-yl)phenyl]prop-2-enamide
CID 167921326
N-[4-(3-methylpyrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 16764916
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35533172
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 35590532
N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 45154182
1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 35521130
trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 35533273
2-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 39855049
3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
CID 166268614
1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea
CID 35521100
3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
CID 35536101

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide (CID 166408337) is N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-n2ccc(C)n2)cc1.
What is the InChIKey of N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is PXXSFBMVONKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-13(17)14-11-4-6-12(7-5-11)16-9-8-10(2)15-16/h3-9H,1H2,2H3,(H,14,17).
What are the key properties of N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide?
N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 227.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 166408337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).