3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

C15H17N3O — CID 78952320

IUPAC3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cc(C)[nH]n2)c(C)c1
InChIInChI=1S/C15H17N3O/c1-10-4-5-13(11(2)8-10)6-7-15(19)16-14-9-12(3)17-18-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyCQQCVDFLIFMTJT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.99
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 78952320) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID78952320
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cc(C)[nH]n2)c(C)c1
InChIInChI=1S/C15H17N3O/c1-10-4-5-13(11(2)8-10)6-7-15(19)16-14-9-12(3)17-18-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyCQQCVDFLIFMTJT-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dimethylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621226
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952338
(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55260405
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 84552797
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 2426610
(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
CID 86973808
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 104619965
(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 63819721
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
CID 63820246

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (CID 78952320) is 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cc(C)[nH]n2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is CQQCVDFLIFMTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-4-5-13(11(2)8-10)6-7-15(19)16-14-9-12(3)17-18-14/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 78952320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).