7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine

C9H10ClN3 — CID 63822805

IUPAC7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C9H10ClN3/c1-3-7-5-8(10)13-9(11-7)4-6(2)12-13/h4-5H,3H2,1-2H3
InChIKeyWIBPPNXJANEEFU-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.25
Rot. Bonds1

About 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine

7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 63822805) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID63822805
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C9H10ClN3/c1-3-7-5-8(10)13-9(11-7)4-6(2)12-13/h4-5H,3H2,1-2H3
InChIKeyWIBPPNXJANEEFU-UHFFFAOYSA-N
XLogP2.25
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine (CID 63822805) is 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine is CCc1cc(Cl)n2nc(C)cc2n1.
What is the InChIKey of 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WIBPPNXJANEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-3-7-5-8(10)13-9(11-7)4-6(2)12-13/h4-5H,3H2,1-2H3.
What are the key properties of 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 195.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 63822805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).