4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

C15H15ClN4O — CID 42670620

IUPAC4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(C)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C15H15ClN4O/c1-9-4-6-11(7-5-9)20-15-13(10(2)19-20)14(16)17-12(18-15)8-21-3/h4-7H,8H2,1-3H3
InChIKeyUUIWPWYQRRCJHE-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.23
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 42670620) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID42670620
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(C)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C15H15ClN4O/c1-9-4-6-11(7-5-9)20-15-13(10(2)19-20)14(16)17-12(18-15)8-21-3/h4-7H,8H2,1-3H3
InChIKeyUUIWPWYQRRCJHE-UHFFFAOYSA-N
XLogP3.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 42670620) is 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is COCc1nc(Cl)c2c(C)nn(-c3ccc(C)cc3)c2n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is UUIWPWYQRRCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9-4-6-11(7-5-9)20-15-13(10(2)19-20)14(16)17-12(18-15)8-21-3/h4-7H,8H2,1-3H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 302.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42670620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).