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

C16H15N3O2 — CID 104572631

IUPAC3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
SMILESCc1cccc(CC(C(=O)O)c2ccn3nccc3n2)c1
InChIInChI=1S/C16H15N3O2/c1-11-3-2-4-12(9-11)10-13(16(20)21)14-6-8-19-15(18-14)5-7-17-19/h2-9,13H,10H2,1H3,(H,20,21)
InChIKeyZRRVOIJVYFTUSG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.45
Rot. Bonds4

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

3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid (PubChem CID 104572631) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
PubChem CID104572631
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
SMILESCc1cccc(CC(C(=O)O)c2ccn3nccc3n2)c1
InChIInChI=1S/C16H15N3O2/c1-11-3-2-4-12(9-11)10-13(16(20)21)14-6-8-19-15(18-14)5-7-17-19/h2-9,13H,10H2,1H3,(H,20,21)
InChIKeyZRRVOIJVYFTUSG-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 ≤ 500281.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
CID 104572640
3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
3-(3-methylphenyl)-2-(6-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 104572647
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
CID 82020844
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
3-(3-methylphenyl)-2-(4-nitro-2-pyridinyl)propanoic acid
CID 104572614
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
CID 59981449
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
The IUPAC name of 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid (CID 104572631) is 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid.
What is the SMILES notation for 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
The canonical SMILES for 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid is Cc1cccc(CC(C(=O)O)c2ccn3nccc3n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
The InChIKey is ZRRVOIJVYFTUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-3-2-4-12(9-11)10-13(16(20)21)14-6-8-19-15(18-14)5-7-17-19/h2-9,13H,10H2,1H3,(H,20,21).
What are the key properties of 3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid?
3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid has a molecular weight of 281.32 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-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid is sourced from PubChem (CID 104572631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).