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

C10H12ClN3O — CID 82269978

IUPAC7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(COC)cc2n1
InChIInChI=1S/C10H12ClN3O/c1-3-7-4-9(11)14-10(12-7)5-8(13-14)6-15-2/h4-5H,3,6H2,1-2H3
InChIKeyTVJLTOVDKBHKRW-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.09
Rot. Bonds3

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

7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82269978) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82269978
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(COC)cc2n1
InChIInChI=1S/C10H12ClN3O/c1-3-7-4-9(11)14-10(12-7)5-8(13-14)6-15-2/h4-5H,3,6H2,1-2H3
InChIKeyTVJLTOVDKBHKRW-UHFFFAOYSA-N
XLogP2.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 82269978) is 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is CCc1cc(Cl)n2nc(COC)cc2n1.
What is the InChIKey of 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is TVJLTOVDKBHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-3-7-4-9(11)14-10(12-7)5-8(13-14)6-15-2/h4-5H,3,6H2,1-2H3.
What are the key properties of 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 225.68 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).