6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C10H11N3O3 — CID 58056251

IUPAC6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(CCCO)cnc12
InChIInChI=1S/C10H11N3O3/c14-3-1-2-7-4-11-9-8(10(15)16)5-12-13(9)6-7/h4-6,14H,1-3H2,(H,15,16)
InChIKeyCMENLCDIIZACHK-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.35
Rot. Bonds4

About 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 58056251) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID58056251
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(CCCO)cnc12
InChIInChI=1S/C10H11N3O3/c14-3-1-2-7-4-11-9-8(10(15)16)5-12-13(9)6-7/h4-6,14H,1-3H2,(H,15,16)
InChIKeyCMENLCDIIZACHK-UHFFFAOYSA-N
XLogP0.35
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 58056251) is 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(CCCO)cnc12.
What is the InChIKey of 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is CMENLCDIIZACHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-3-1-2-7-4-11-9-8(10(15)16)5-12-13(9)6-7/h4-6,14H,1-3H2,(H,15,16).
What are the key properties of 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 58056251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).