7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine

C9H8ClN3 — CID 63820991

IUPAC7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2ccnn12
InChIInChI=1S/C9H8ClN3/c10-8-5-7(6-1-2-6)12-9-3-4-11-13(8)9/h3-6H,1-2H2
InChIKeyYQUXIKCVENKGIF-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.26
Rot. Bonds1

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

7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine (PubChem CID 63820991) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
PubChem CID63820991
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2ccnn12
InChIInChI=1S/C9H8ClN3/c10-8-5-7(6-1-2-6)12-9-3-4-11-13(8)9/h3-6H,1-2H2
InChIKeyYQUXIKCVENKGIF-UHFFFAOYSA-N
XLogP2.26
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine (CID 63820991) is 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine is Clc1cc(C2CC2)nc2ccnn12.
What is the InChIKey of 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YQUXIKCVENKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-8-5-7(6-1-2-6)12-9-3-4-11-13(8)9/h3-6H,1-2H2.
What are the key properties of 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine has a molecular weight of 193.64 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 63820991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).