6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one

C12H10ClN5O — CID 127027557

IUPAC6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1N
InChIInChI=1S/C12H10ClN5O/c1-6-15-10-9(7-2-4-8(13)5-3-7)16-17-11(10)12(19)18(6)14/h2-5H,14H2,1H3,(H,16,17)
InChIKeyBMXUUTSGADWUJG-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.46
Rot. Bonds1

About 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one

6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 127027557) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID127027557
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1N
InChIInChI=1S/C12H10ClN5O/c1-6-15-10-9(7-2-4-8(13)5-3-7)16-17-11(10)12(19)18(6)14/h2-5H,14H2,1H3,(H,16,17)
InChIKeyBMXUUTSGADWUJG-UHFFFAOYSA-N
XLogP1.46
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one (CID 127027557) is 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one is Cc1nc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1N.
What is the InChIKey of 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is BMXUUTSGADWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-6-15-10-9(7-2-4-8(13)5-3-7)16-17-11(10)12(19)18(6)14/h2-5H,14H2,1H3,(H,16,17).
What are the key properties of 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one?
6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 275.70 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 127027557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).