1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

C10H10N6O — CID 135623940

IUPAC1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1nccc1-c1nc2cnn(C)c2c(=O)[nH]1
InChIInChI=1S/C10H10N6O/c1-15-7(3-4-11-15)9-13-6-5-12-16(2)8(6)10(17)14-9/h3-5H,1-2H3,(H,13,14,17)
InChIKeyFNOPNFJSKGVHQP-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.06
Rot. Bonds1

About 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135623940) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135623940
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1nccc1-c1nc2cnn(C)c2c(=O)[nH]1
InChIInChI=1S/C10H10N6O/c1-15-7(3-4-11-15)9-13-6-5-12-16(2)8(6)10(17)14-9/h3-5H,1-2H3,(H,13,14,17)
InChIKeyFNOPNFJSKGVHQP-UHFFFAOYSA-N
XLogP0.06
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135623940) is 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cn1nccc1-c1nc2cnn(C)c2c(=O)[nH]1.
What is the InChIKey of 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is FNOPNFJSKGVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-15-7(3-4-11-15)9-13-6-5-12-16(2)8(6)10(17)14-9/h3-5H,1-2H3,(H,13,14,17).
What are the key properties of 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 230.23 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135623940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).