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

C18H19N5O2 — CID 25138075

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)
InChIKeyQTJDEJXKPAATAY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.91
Rot. Bonds4

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 25138075) 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-(3-methoxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID25138075
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)
InChIKeyQTJDEJXKPAATAY-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide (CID 25138075) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide is COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is QTJDEJXKPAATAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)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-(3-methoxyphenyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-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-(3-methoxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).