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

C17H17N3O2 — CID 3243307

IUPAC2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)O
InChIInChI=1S/C17H17N3O2/c1-10-14(9-15(21)22)12(3)20-17(18-10)16(11(2)19-20)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyUPIXVQRZTJLYEF-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.95
Rot. Bonds3

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

2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 3243307) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID3243307
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)O
InChIInChI=1S/C17H17N3O2/c1-10-14(9-15(21)22)12(3)20-17(18-10)16(11(2)19-20)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyUPIXVQRZTJLYEF-UHFFFAOYSA-N
XLogP2.95
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 3243307) is 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)O.
What is the InChIKey of 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is UPIXVQRZTJLYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-14(9-15(21)22)12(3)20-17(18-10)16(11(2)19-20)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,21,22).
What are the key properties of 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 295.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 3243307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).