5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C12H13FN4O2 — CID 172587288

IUPAC5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCCC(F)C3)nc12
InChIInChI=1S/C12H13FN4O2/c13-8-2-1-4-16(7-8)10-3-5-17-11(15-10)9(6-14-17)12(18)19/h3,5-6,8H,1-2,4,7H2,(H,18,19)
InChIKeyGJORXXCVNQPWKG-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.37
Rot. Bonds2

About 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 172587288) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID172587288
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCCC(F)C3)nc12
InChIInChI=1S/C12H13FN4O2/c13-8-2-1-4-16(7-8)10-3-5-17-11(15-10)9(6-14-17)12(18)19/h3,5-6,8H,1-2,4,7H2,(H,18,19)
InChIKeyGJORXXCVNQPWKG-UHFFFAOYSA-N
XLogP1.37
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 172587288) is 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3CCCC(F)C3)nc12.
What is the InChIKey of 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GJORXXCVNQPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-8-2-1-4-16(7-8)10-3-5-17-11(15-10)9(6-14-17)12(18)19/h3,5-6,8H,1-2,4,7H2,(H,18,19).
What are the key properties of 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 172587288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).