4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid

C10H11N3O2 — CID 19037519

IUPAC4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid
SMILESO=C(O)CCCc1ccnc2ccnn12
InChIInChI=1S/C10H11N3O2/c14-10(15)3-1-2-8-4-6-11-9-5-7-12-13(8)9/h4-7H,1-3H2,(H,14,15)
InChIKeyLNPIEVVUJKHWLZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.14
Rot. Bonds4

About 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid

4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid (PubChem CID 19037519) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid
PubChem CID19037519
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid
SMILESO=C(O)CCCc1ccnc2ccnn12
InChIInChI=1S/C10H11N3O2/c14-10(15)3-1-2-8-4-6-11-9-5-7-12-13(8)9/h4-7H,1-3H2,(H,14,15)
InChIKeyLNPIEVVUJKHWLZ-UHFFFAOYSA-N
XLogP1.14
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
The IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid (CID 19037519) is 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
The canonical SMILES for 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid is O=C(O)CCCc1ccnc2ccnn12.
What is the InChIKey of 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
The InChIKey is LNPIEVVUJKHWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10(15)3-1-2-8-4-6-11-9-5-7-12-13(8)9/h4-7H,1-3H2,(H,14,15).
What are the key properties of 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid is sourced from PubChem (CID 19037519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).