3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C10H8ClN3O2 — CID 25247711

IUPAC3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2c(Cl)cnn12
InChIInChI=1S/C10H8ClN3O2/c11-6-4-12-14-8(10(15)16)3-7(5-1-2-5)13-9(6)14/h3-5H,1-2H2,(H,15,16)
InChIKeySKFIYQDQYNNIIY-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.96
Rot. Bonds2

About 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 25247711) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID25247711
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2c(Cl)cnn12
InChIInChI=1S/C10H8ClN3O2/c11-6-4-12-14-8(10(15)16)3-7(5-1-2-5)13-9(6)14/h3-5H,1-2H2,(H,15,16)
InChIKeySKFIYQDQYNNIIY-UHFFFAOYSA-N
XLogP1.96
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 25247711) is 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(C2CC2)nc2c(Cl)cnn12.
What is the InChIKey of 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is SKFIYQDQYNNIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-6-4-12-14-8(10(15)16)3-7(5-1-2-5)13-9(6)14/h3-5H,1-2H2,(H,15,16).
What are the key properties of 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 237.65 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 25247711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).