N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide

C20H23N5O2 — CID 135857471

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C20H23N5O2/c1-4-16-14(3)21-20(23-19(16)27)25-17(12-13(2)24-25)22-18(26)11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyYNDUCKJXJOISLR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide (PubChem CID 135857471) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
PubChem CID135857471
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C20H23N5O2/c1-4-16-14(3)21-20(23-19(16)27)25-17(12-13(2)24-25)22-18(26)11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyYNDUCKJXJOISLR-UHFFFAOYSA-N
XLogP2.71
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide (CID 135857471) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)CCc2ccccc2)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is YNDUCKJXJOISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-16-14(3)21-20(23-19(16)27)25-17(12-13(2)24-25)22-18(26)11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,22,26)(H,21,23,27).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 365.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 135857471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).