1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone

C17H16N4O — CID 162299032

IUPAC1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone
SMILESCc1ccnc(-c2ccc(CC(=O)c3cc(C)[nH]n3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-11-7-8-18-17(19-11)14-5-3-13(4-6-14)10-16(22)15-9-12(2)20-21-15/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyDBSUNCLUHGWYJZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.91
Rot. Bonds4

About 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone

1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone (PubChem CID 162299032) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone
PubChem CID162299032
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone
SMILESCc1ccnc(-c2ccc(CC(=O)c3cc(C)[nH]n3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-11-7-8-18-17(19-11)14-5-3-13(4-6-14)10-16(22)15-9-12(2)20-21-15/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyDBSUNCLUHGWYJZ-UHFFFAOYSA-N
XLogP2.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone (CID 162299032) is 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone is Cc1ccnc(-c2ccc(CC(=O)c3cc(C)[nH]n3)cc2)n1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone?
The InChIKey is DBSUNCLUHGWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-7-8-18-17(19-11)14-5-3-13(4-6-14)10-16(22)15-9-12(2)20-21-15/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone?
1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone is sourced from PubChem (CID 162299032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).