3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid

C16H15N3O2 — CID 104572914

IUPAC3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
SMILESCc1ccccc1CC(C(=O)O)c1ccn2nccc2n1
InChIInChI=1S/C16H15N3O2/c1-11-4-2-3-5-12(11)10-13(16(20)21)14-7-9-19-15(18-14)6-8-17-19/h2-9,13H,10H2,1H3,(H,20,21)
InChIKeyDMASUTJSFBBTGC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid

3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid (PubChem CID 104572914) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
PubChem CID104572914
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
SMILESCc1ccccc1CC(C(=O)O)c1ccn2nccc2n1
InChIInChI=1S/C16H15N3O2/c1-11-4-2-3-5-12(11)10-13(16(20)21)14-7-9-19-15(18-14)6-8-17-19/h2-9,13H,10H2,1H3,(H,20,21)
InChIKeyDMASUTJSFBBTGC-UHFFFAOYSA-N
XLogP2.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572631
3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
CID 104572929
2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572904
3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104572948
2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 106879271
2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005013
2-(1,3-benzothiazol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 104572950
(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
CID 98822926
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(2-methylphenyl)propanoic acid
CID 104572946
3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid
CID 113428270

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
The IUPAC name of 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid (CID 104572914) is 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid.
What is the SMILES notation for 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
The canonical SMILES for 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid is Cc1ccccc1CC(C(=O)O)c1ccn2nccc2n1.
What is the InChIKey of 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
The InChIKey is DMASUTJSFBBTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-4-2-3-5-12(11)10-13(16(20)21)14-7-9-19-15(18-14)6-8-17-19/h2-9,13H,10H2,1H3,(H,20,21).
What are the key properties of 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid is sourced from PubChem (CID 104572914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).