(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide

C20H20N4O — CID 60553158

IUPAC(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(/C=C/C(=O)Nc2cccnc2-n2cccn2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-12-16(3)17(13-15(14)2)7-8-19(25)23-18-6-4-9-21-20(18)24-11-5-10-22-24/h4-13H,1-3H3,(H,23,25)/b8-7+
InChIKeyJXHJXCODYDNPLD-BQYQJAHWSA-N
MW332.41 g/mol
LogP3.84
Rot. Bonds4

About (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide

(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide (PubChem CID 60553158) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
PubChem CID60553158
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(/C=C/C(=O)Nc2cccnc2-n2cccn2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-12-16(3)17(13-15(14)2)7-8-19(25)23-18-6-4-9-21-20(18)24-11-5-10-22-24/h4-13H,1-3H3,(H,23,25)/b8-7+
InChIKeyJXHJXCODYDNPLD-BQYQJAHWSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide (CID 60553158) is (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide is Cc1cc(C)c(/C=C/C(=O)Nc2cccnc2-n2cccn2)cc1C.
What is the InChIKey of (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The InChIKey is JXHJXCODYDNPLD-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-12-16(3)17(13-15(14)2)7-8-19(25)23-18-6-4-9-21-20(18)24-11-5-10-22-24/h4-13H,1-3H3,(H,23,25)/b8-7+.
What are the key properties of (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide has a molecular weight of 332.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 60553158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).