7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine

C9H10ClN3O — CID 10822397

IUPAC7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2ncc(OC)c2n1
InChIInChI=1S/C9H10ClN3O/c1-3-6-4-8(10)13-9(12-6)7(14-2)5-11-13/h4-5H,3H2,1-2H3
InChIKeyODLUNDUNEONQHR-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.95
Rot. Bonds2

About 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine

7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine (PubChem CID 10822397) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine
PubChem CID10822397
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2ncc(OC)c2n1
InChIInChI=1S/C9H10ClN3O/c1-3-6-4-8(10)13-9(12-6)7(14-2)5-11-13/h4-5H,3H2,1-2H3
InChIKeyODLUNDUNEONQHR-UHFFFAOYSA-N
XLogP1.95
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.95
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-3-methoxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine (CID 10822397) is 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine is CCc1cc(Cl)n2ncc(OC)c2n1.
What is the InChIKey of 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine?
The InChIKey is ODLUNDUNEONQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-3-6-4-8(10)13-9(12-6)7(14-2)5-11-13/h4-5H,3H2,1-2H3.
What are the key properties of 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine?
7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine has a molecular weight of 211.65 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 10822397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).