3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C9H9ClN4O2 — CID 115043945

IUPAC3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc2c(Cl)cnn12
InChIInChI=1S/C9H9ClN4O2/c1-13(2)7-3-6(9(15)16)12-8-5(10)4-11-14(7)8/h3-4H,1-2H3,(H,15,16)
InChIKeyBGBIHAKBUHDINS-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.15
Rot. Bonds2

About 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 115043945) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID115043945
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Name3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc2c(Cl)cnn12
InChIInChI=1S/C9H9ClN4O2/c1-13(2)7-3-6(9(15)16)12-8-5(10)4-11-14(7)8/h3-4H,1-2H3,(H,15,16)
InChIKeyBGBIHAKBUHDINS-UHFFFAOYSA-N
XLogP1.15
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 115043945) is 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CN(C)c1cc(C(=O)O)nc2c(Cl)cnn12.
What is the InChIKey of 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is BGBIHAKBUHDINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-13(2)7-3-6(9(15)16)12-8-5(10)4-11-14(7)8/h3-4H,1-2H3,(H,15,16).
What are the key properties of 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 240.65 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115043945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).