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

C17H17N3O2 — CID 7061863

IUPAC3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(-c3ccccc3)cnn2c(C)c1CCC(=O)O
InChIInChI=1S/C17H17N3O2/c1-11-14(8-9-16(21)22)12(2)20-17(19-11)15(10-18-20)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,21,22)
InChIKeyPTCPUFDVDCJDAK-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.03
Rot. Bonds4

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

3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 7061863) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID7061863
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(-c3ccccc3)cnn2c(C)c1CCC(=O)O
InChIInChI=1S/C17H17N3O2/c1-11-14(8-9-16(21)22)12(2)20-17(19-11)15(10-18-20)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,21,22)
InChIKeyPTCPUFDVDCJDAK-UHFFFAOYSA-N
XLogP3.03
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 7061863) is 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1nc2c(-c3ccccc3)cnn2c(C)c1CCC(=O)O.
What is the InChIKey of 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is PTCPUFDVDCJDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-14(8-9-16(21)22)12(2)20-17(19-11)15(10-18-20)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,21,22).
What are the key properties of 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 7061863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).