7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine

C15H14ClN3O2 — CID 89057831

IUPAC7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(Cl)n3ncc(C)c3n2)cc1OC
InChIInChI=1S/C15H14ClN3O2/c1-9-8-17-19-14(16)7-11(18-15(9)19)10-4-5-12(20-2)13(6-10)21-3/h4-8H,1-3H3
InChIKeyACYREVOMLNBMHK-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.38
Rot. Bonds3

About 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine

7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 89057831) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID89057831
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(Cl)n3ncc(C)c3n2)cc1OC
InChIInChI=1S/C15H14ClN3O2/c1-9-8-17-19-14(16)7-11(18-15(9)19)10-4-5-12(20-2)13(6-10)21-3/h4-8H,1-3H3
InChIKeyACYREVOMLNBMHK-UHFFFAOYSA-N
XLogP3.38
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine (CID 89057831) is 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(Cl)n3ncc(C)c3n2)cc1OC.
What is the InChIKey of 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ACYREVOMLNBMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-8-17-19-14(16)7-11(18-15(9)19)10-4-5-12(20-2)13(6-10)21-3/h4-8H,1-3H3.
What are the key properties of 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 303.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 89057831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).