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

C14H19N3O2 — CID 113433510

IUPAC2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2c(CC)cnn2c(CC)c1CC(=O)O
InChIInChI=1S/C14H19N3O2/c1-4-9-8-15-17-12(6-3)10(7-13(18)19)11(5-2)16-14(9)17/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyIEDSRCARMJAOFT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.04
Rot. Bonds5

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

2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 113433510) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID113433510
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2c(CC)cnn2c(CC)c1CC(=O)O
InChIInChI=1S/C14H19N3O2/c1-4-9-8-15-17-12(6-3)10(7-13(18)19)11(5-2)16-14(9)17/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyIEDSRCARMJAOFT-UHFFFAOYSA-N
XLogP2.04
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 113433510) is 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is CCc1nc2c(CC)cnn2c(CC)c1CC(=O)O.
What is the InChIKey of 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is IEDSRCARMJAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-9-8-15-17-12(6-3)10(7-13(18)19)11(5-2)16-14(9)17/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 113433510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).