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

C11H11N3O2 — CID 84723996

IUPAC2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C11H11N3O2/c15-10(16)3-8-5-13-14-6-9(7-1-2-7)4-12-11(8)14/h4-7H,1-3H2,(H,15,16)
InChIKeyIMMDMPKCANKHNS-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.23
Rot. Bonds3

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

2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid (PubChem CID 84723996) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
PubChem CID84723996
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C11H11N3O2/c15-10(16)3-8-5-13-14-6-9(7-1-2-7)4-12-11(8)14/h4-7H,1-3H2,(H,15,16)
InChIKeyIMMDMPKCANKHNS-UHFFFAOYSA-N
XLogP1.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid (CID 84723996) is 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid is O=C(O)Cc1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The InChIKey is IMMDMPKCANKHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10(16)3-8-5-13-14-6-9(7-1-2-7)4-12-11(8)14/h4-7H,1-3H2,(H,15,16).
What are the key properties of 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 84723996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).