2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

C20H23N5O4 — CID 135753261

IUPAC2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(OC)cc2)n1
InChIInChI=1S/C20H23N5O4/c1-4-5-14-11-18(26)23-20(21-14)25-17(10-13(2)24-25)22-19(27)12-29-16-8-6-15(28-3)7-9-16/h6-11H,4-5,12H2,1-3H3,(H,22,27)(H,21,23,26)
InChIKeyUIHGWQNGKWEKLO-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.24
Rot. Bonds8

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

2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135753261) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135753261
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(OC)cc2)n1
InChIInChI=1S/C20H23N5O4/c1-4-5-14-11-18(26)23-20(21-14)25-17(10-13(2)24-25)22-19(27)12-29-16-8-6-15(28-3)7-9-16/h6-11H,4-5,12H2,1-3H3,(H,22,27)(H,21,23,26)
InChIKeyUIHGWQNGKWEKLO-UHFFFAOYSA-N
XLogP2.24
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135753261) is 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(OC)cc2)n1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is UIHGWQNGKWEKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-4-5-14-11-18(26)23-20(21-14)25-17(10-13(2)24-25)22-19(27)12-29-16-8-6-15(28-3)7-9-16/h6-11H,4-5,12H2,1-3H3,(H,22,27)(H,21,23,26).
What are the key properties of 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 397.44 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135753261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).