3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide

C20H20N4O — CID 171130635

IUPAC3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
SMILESCc1ccccc1C=CC(=O)NCc1cc(-c2cccnc2)nn1C
InChIInChI=1S/C20H20N4O/c1-15-6-3-4-7-16(15)9-10-20(25)22-14-18-12-19(23-24(18)2)17-8-5-11-21-13-17/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeySXLZAVQKRSXUFF-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide

3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide (PubChem CID 171130635) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
PubChem CID171130635
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
SMILESCc1ccccc1C=CC(=O)NCc1cc(-c2cccnc2)nn1C
InChIInChI=1S/C20H20N4O/c1-15-6-3-4-7-16(15)9-10-20(25)22-14-18-12-19(23-24(18)2)17-8-5-11-21-13-17/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeySXLZAVQKRSXUFF-UHFFFAOYSA-N
XLogP3.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901
(E)-3-(2-methylphenyl)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 121020018
4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
CID 121020097
1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea
CID 119102906
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
CID 171130626
N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 171140268
(E)-3-(2-methylphenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102701
(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126854930
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 119102922
(E)-3-(2-chlorophenyl)-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]prop-2-enamide
CID 117055104
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(E)-3-(2-chlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 122273999

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide (CID 171130635) is 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide is Cc1ccccc1C=CC(=O)NCc1cc(-c2cccnc2)nn1C.
What is the InChIKey of 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide?
The InChIKey is SXLZAVQKRSXUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-6-3-4-7-16(15)9-10-20(25)22-14-18-12-19(23-24(18)2)17-8-5-11-21-13-17/h3-13H,14H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide?
3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide has a molecular weight of 332.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 171130635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).