2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide

C24H23N5O2 — CID 122311091

IUPAC2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Oc2cc(-n3nc(C)c(C)c3C)ncn2)cc1
InChIInChI=1S/C24H23N5O2/c1-15-7-5-6-8-21(15)24(30)27-19-9-11-20(12-10-19)31-23-13-22(25-14-26-23)29-18(4)16(2)17(3)28-29/h5-14H,1-4H3,(H,27,30)
InChIKeySIVZQHVQOAKISV-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.94
Rot. Bonds5

About 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide

2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (PubChem CID 122311091) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
PubChem CID122311091
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Oc2cc(-n3nc(C)c(C)c3C)ncn2)cc1
InChIInChI=1S/C24H23N5O2/c1-15-7-5-6-8-21(15)24(30)27-19-9-11-20(12-10-19)31-23-13-22(25-14-26-23)29-18(4)16(2)17(3)28-29/h5-14H,1-4H3,(H,27,30)
InChIKeySIVZQHVQOAKISV-UHFFFAOYSA-N
XLogP4.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diphenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311140
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122311312
4-(trifluoromethoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311318
2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311281
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide
CID 122311087
1-(3-methylsulfanylphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311234
2-bromo-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311816
2-bromo-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311060
2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305771
2-bromo-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306101
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,3-benzothiazole-6-carboxamide
CID 122311257
1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (CID 122311091) is 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(Oc2cc(-n3nc(C)c(C)c3C)ncn2)cc1.
What is the InChIKey of 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The InChIKey is SIVZQHVQOAKISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-7-5-6-8-21(15)24(30)27-19-9-11-20(12-10-19)31-23-13-22(25-14-26-23)29-18(4)16(2)17(3)28-29/h5-14H,1-4H3,(H,27,30).
What are the key properties of 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122311091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).