3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C18H19N3O2 — CID 3163256

IUPAC3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C18H19N3O2/c1-11-15(9-10-16(22)23)13(3)21-18(19-11)17(12(2)20-21)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyMQIIGELLXBQOQF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.34
Rot. Bonds4

About 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 3163256) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID3163256
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C18H19N3O2/c1-11-15(9-10-16(22)23)13(3)21-18(19-11)17(12(2)20-21)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyMQIIGELLXBQOQF-UHFFFAOYSA-N
XLogP3.34
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 3163256) is 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)O.
What is the InChIKey of 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is MQIIGELLXBQOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-15(9-10-16(22)23)13(3)21-18(19-11)17(12(2)20-21)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 3163256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).