7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine

C16H16ClN3O — CID 1448009

IUPAC7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(Cl)c(C)c(C)nc23)cc1
InChIInChI=1S/C16H16ClN3O/c1-9-10(2)18-16-14(11(3)19-20(16)15(9)17)12-5-7-13(21-4)8-6-12/h5-8H,1-4H3
InChIKeyQOPBAOHLZBMFCH-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.98
Rot. Bonds2

About 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine

7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 1448009) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID1448009
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(Cl)c(C)c(C)nc23)cc1
InChIInChI=1S/C16H16ClN3O/c1-9-10(2)18-16-14(11(3)19-20(16)15(9)17)12-5-7-13(21-4)8-6-12/h5-8H,1-4H3
InChIKeyQOPBAOHLZBMFCH-UHFFFAOYSA-N
XLogP3.98
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine (CID 1448009) is 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nn3c(Cl)c(C)c(C)nc23)cc1.
What is the InChIKey of 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QOPBAOHLZBMFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-9-10(2)18-16-14(11(3)19-20(16)15(9)17)12-5-7-13(21-4)8-6-12/h5-8H,1-4H3.
What are the key properties of 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 301.78 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1448009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).