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

C9H10ClN3O — CID 19608350

IUPAC7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOCc1cc(Cl)n2nccc2n1
InChIInChI=1S/C9H10ClN3O/c1-2-14-6-7-5-8(10)13-9(12-7)3-4-11-13/h3-5H,2,6H2,1H3
InChIKeyYGWPGEPOPOOUGL-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.92
Rot. Bonds3

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

7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 19608350) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID19608350
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOCc1cc(Cl)n2nccc2n1
InChIInChI=1S/C9H10ClN3O/c1-2-14-6-7-5-8(10)13-9(12-7)3-4-11-13/h3-5H,2,6H2,1H3
InChIKeyYGWPGEPOPOOUGL-UHFFFAOYSA-N
XLogP1.92
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 19608350) is 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine is CCOCc1cc(Cl)n2nccc2n1.
What is the InChIKey of 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is YGWPGEPOPOOUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-2-14-6-7-5-8(10)13-9(12-7)3-4-11-13/h3-5H,2,6H2,1H3.
What are the key properties of 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 211.65 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(ethoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 19608350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).