7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine

C9H10ClN3O2 — CID 58190616

IUPAC7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine
SMILESCOCCOc1cc2nccc(Cl)n2n1
InChIInChI=1S/C9H10ClN3O2/c1-14-4-5-15-9-6-8-11-3-2-7(10)13(8)12-9/h2-3,6H,4-5H2,1H3
InChIKeyNXBJUKBDVWOJTP-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.41
Rot. Bonds4

About 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine

7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 58190616) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID58190616
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine
SMILESCOCCOc1cc2nccc(Cl)n2n1
InChIInChI=1S/C9H10ClN3O2/c1-14-4-5-15-9-6-8-11-3-2-7(10)13(8)12-9/h2-3,6H,4-5H2,1H3
InChIKeyNXBJUKBDVWOJTP-UHFFFAOYSA-N
XLogP1.41
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine (CID 58190616) is 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine is COCCOc1cc2nccc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NXBJUKBDVWOJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-14-4-5-15-9-6-8-11-3-2-7(10)13(8)12-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 227.65 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58190616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).