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2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide

C24H23N5O4 — CID 155810551

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(Oc2nccc(-c3cn(CC(N)=O)nc3-c3cc(C)cc(OC)c3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-15-10-16(12-19(11-15)32-3)23-20(13-29(28-23)14-22(25)30)21-8-9-26-24(27-21)33-18-6-4-17(31-2)5-7-18/h4-13H,14H2,1-3H3,(H2,25,30)
InChIKeyDEVVDTYRVFMHPN-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.61
Rot. Bonds8

About 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide

2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide (PubChem CID 155810551) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide
PubChem CID155810551
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(Oc2nccc(-c3cn(CC(N)=O)nc3-c3cc(C)cc(OC)c3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-15-10-16(12-19(11-15)32-3)23-20(13-29(28-23)14-22(25)30)21-8-9-26-24(27-21)33-18-6-4-17(31-2)5-7-18/h4-13H,14H2,1-3H3,(H2,25,30)
InChIKeyDEVVDTYRVFMHPN-UHFFFAOYSA-N
XLogP3.61
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide (CID 155810551) is 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide is COc1ccc(Oc2nccc(-c3cn(CC(N)=O)nc3-c3cc(C)cc(OC)c3)n2)cc1.
What is the InChIKey of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The InChIKey is DEVVDTYRVFMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-10-16(12-19(11-15)32-3)23-20(13-29(28-23)14-22(25)30)21-8-9-26-24(27-21)33-18-6-4-17(31-2)5-7-18/h4-13H,14H2,1-3H3,(H2,25,30).
What are the key properties of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 155810551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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