(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide

C20H20N4O — CID 126854930

IUPAC(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C20H20N4O/c1-16-4-2-3-5-17(16)6-7-20(25)22-12-13-24-15-19(14-23-24)18-8-10-21-11-9-18/h2-11,14-15H,12-13H2,1H3,(H,22,25)/b7-6+
InChIKeyFQFNTEBECYYAKO-VOTSOKGWSA-N
MW332.41 g/mol
LogP3.08
Rot. Bonds6

About (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide

(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide (PubChem CID 126854930) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
PubChem CID126854930
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C20H20N4O/c1-16-4-2-3-5-17(16)6-7-20(25)22-12-13-24-15-19(14-23-24)18-8-10-21-11-9-18/h2-11,14-15H,12-13H2,1H3,(H,22,25)/b7-6+
InChIKeyFQFNTEBECYYAKO-VOTSOKGWSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.08
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-methylphenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102701
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102927
2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
CID 126850962
(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 90588038
N-methyl-2-(4-pyridin-4-ylpyrazol-1-yl)ethanamine
CID 121213954
1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 126852886
(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126852832
(E)-3-(2-chlorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 19327940
3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 171130635
3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 171137175
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide (CID 126854930) is (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide is Cc1ccccc1/C=C/C(=O)NCCn1cc(-c2ccncc2)cn1.
What is the InChIKey of (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is FQFNTEBECYYAKO-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H20N4O/c1-16-4-2-3-5-17(16)6-7-20(25)22-12-13-24-15-19(14-23-24)18-8-10-21-11-9-18/h2-11,14-15H,12-13H2,1H3,(H,22,25)/b7-6+.
What are the key properties of (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide has a molecular weight of 332.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 126854930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).