2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine

C10H10ClN3O — CID 70294307

IUPAC2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESC=C(OC)c1cc(C)n2nc(Cl)cc2n1
InChIInChI=1S/C10H10ClN3O/c1-6-4-8(7(2)15-3)12-10-5-9(11)13-14(6)10/h4-5H,2H2,1,3H3
InChIKeyRBFIUYAKXNIYLP-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.31
Rot. Bonds2

About 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine

2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 70294307) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine
PubChem CID70294307
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESC=C(OC)c1cc(C)n2nc(Cl)cc2n1
InChIInChI=1S/C10H10ClN3O/c1-6-4-8(7(2)15-3)12-10-5-9(11)13-14(6)10/h4-5H,2H2,1,3H3
InChIKeyRBFIUYAKXNIYLP-UHFFFAOYSA-N
XLogP2.31
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine (CID 70294307) is 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine is C=C(OC)c1cc(C)n2nc(Cl)cc2n1.
What is the InChIKey of 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RBFIUYAKXNIYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-4-8(7(2)15-3)12-10-5-9(11)13-14(6)10/h4-5H,2H2,1,3H3.
What are the key properties of 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine?
2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 223.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methoxyethenyl)-7-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70294307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).