N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide

C18H19N5O2 — CID 44589759

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1-c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H19N5O2/c1-11-9-12(2)23(22-11)18-20-15(10-17(21-18)19-13(3)24)14-7-5-6-8-16(14)25-4/h5-10H,1-4H3,(H,19,20,21,24)
InChIKeyIHZJCEYKGHNJAV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 44589759) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID44589759
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1-c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H19N5O2/c1-11-9-12(2)23(22-11)18-20-15(10-17(21-18)19-13(3)24)14-7-5-6-8-16(14)25-4/h5-10H,1-4H3,(H,19,20,21,24)
InChIKeyIHZJCEYKGHNJAV-UHFFFAOYSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138076
N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25138077
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
CID 53325847
N-(4-methoxyphenyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
CID 9551399
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
(S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide
CID 25110630
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpiperidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide
CID 44589945
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide
CID 44590096
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
2-(2-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818819

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide (CID 44589759) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide is COc1ccccc1-c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is IHZJCEYKGHNJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-9-12(2)23(22-11)18-20-15(10-17(21-18)19-13(3)24)14-7-5-6-8-16(14)25-4/h5-10H,1-4H3,(H,19,20,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).