(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide

C20H21N5O2 — CID 135753251

IUPAC(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-7-16-13-19(27)23-20(21-16)25-17(12-14(2)24-25)22-18(26)11-10-15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3,(H,22,26)(H,21,23,27)/b11-10+
InChIKeyJJDWFHYAOPEPOW-ZHACJKMWSA-N
MW363.42 g/mol
LogP2.87
Rot. Bonds6

About (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide

(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide (PubChem CID 135753251) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide
PubChem CID135753251
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-7-16-13-19(27)23-20(21-16)25-17(12-14(2)24-25)22-18(26)11-10-15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3,(H,22,26)(H,21,23,27)/b11-10+
InChIKeyJJDWFHYAOPEPOW-ZHACJKMWSA-N
XLogP2.87
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-4-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxobut-2-enoic acid
CID 135551446
(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]but-2-enamide
CID 135753195
(2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
CID 135551420
4-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753227
3-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753232
ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 135753198
4-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753214
4-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753233
2-(4-fluorophenyl)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753272
2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753266
2-cyclohexyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753190
trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135551450

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide (CID 135753251) is (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide?
The InChIKey is JJDWFHYAOPEPOW-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-7-16-13-19(27)23-20(21-16)25-17(12-14(2)24-25)22-18(26)11-10-15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3,(H,22,26)(H,21,23,27)/b11-10+.
What are the key properties of (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide?
(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide has a molecular weight of 363.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 135753251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).