5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine

C7H7ClN4O — CID 154723347

IUPAC5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine
SMILESCOc1nc(Cl)nc2cnn(C)c12
InChIInChI=1S/C7H7ClN4O/c1-12-5-4(3-9-12)10-7(8)11-6(5)13-2/h3H,1-2H3
InChIKeyWBMHYFJRCFJYHH-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.03
Rot. Bonds1

About 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine

5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine (PubChem CID 154723347) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine
PubChem CID154723347
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine
SMILESCOc1nc(Cl)nc2cnn(C)c12
InChIInChI=1S/C7H7ClN4O/c1-12-5-4(3-9-12)10-7(8)11-6(5)13-2/h3H,1-2H3
InChIKeyWBMHYFJRCFJYHH-UHFFFAOYSA-N
XLogP1.03
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine (CID 154723347) is 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine is COc1nc(Cl)nc2cnn(C)c12.
What is the InChIKey of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine?
The InChIKey is WBMHYFJRCFJYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c1-12-5-4(3-9-12)10-7(8)11-6(5)13-2/h3H,1-2H3.
What are the key properties of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine?
5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine has a molecular weight of 198.61 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 154723347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).