N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide

C24H23N5O2 — CID 122310017

IUPACN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Oc2cc(-n3cccn3)nc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-3-21(18-8-5-4-6-9-18)24(30)28-19-10-12-20(13-11-19)31-23-16-22(26-17(2)27-23)29-15-7-14-25-29/h4-16,21H,3H2,1-2H3,(H,28,30)
InChIKeyILUNRJWDOOAEHF-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.90
Rot. Bonds7

About N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide

N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide (PubChem CID 122310017) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
PubChem CID122310017
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Oc2cc(-n3cccn3)nc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-3-21(18-8-5-4-6-9-18)24(30)28-19-10-12-20(13-11-19)31-23-16-22(26-17(2)27-23)29-15-7-14-25-29/h4-16,21H,3H2,1-2H3,(H,28,30)
InChIKeyILUNRJWDOOAEHF-UHFFFAOYSA-N
XLogP4.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 122310015
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
CID 122310132
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide
CID 122309981
(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122291533
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
3,5-dimethyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-4-carboxamide
CID 122310186

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide (CID 122310017) is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(Oc2cc(-n3cccn3)nc(C)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide?
The InChIKey is ILUNRJWDOOAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-3-21(18-8-5-4-6-9-18)24(30)28-19-10-12-20(13-11-19)31-23-16-22(26-17(2)27-23)29-15-7-14-25-29/h4-16,21H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide?
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide has a molecular weight of 413.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide is sourced from PubChem (CID 122310017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).