7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

C10H11Cl2N3O — CID 18789022

IUPAC7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nc2ccnn2c(Cl)c1CCCl
InChIInChI=1S/C10H11Cl2N3O/c1-16-6-8-7(2-4-11)10(12)15-9(14-8)3-5-13-15/h3,5H,2,4,6H2,1H3
InChIKeyFACNULVNMHYRIR-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.31
Rot. Bonds4

About 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 18789022) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID18789022
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nc2ccnn2c(Cl)c1CCCl
InChIInChI=1S/C10H11Cl2N3O/c1-16-6-8-7(2-4-11)10(12)15-9(14-8)3-5-13-15/h3,5H,2,4,6H2,1H3
InChIKeyFACNULVNMHYRIR-UHFFFAOYSA-N
XLogP2.31
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 18789022) is 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is COCc1nc2ccnn2c(Cl)c1CCCl.
What is the InChIKey of 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FACNULVNMHYRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c1-16-6-8-7(2-4-11)10(12)15-9(14-8)3-5-13-15/h3,5H,2,4,6H2,1H3.
What are the key properties of 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 260.12 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2-chloroethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 18789022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).