4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one

C11H10N4O — CID 902634

IUPAC4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one
SMILESCn1c2cn[nH]c2c(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N4O/c1-14-9-7-12-13-10(9)11(16)15(14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyVVBNSRFXJMAVFH-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.05
Rot. Bonds1

About 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one

4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one (PubChem CID 902634) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one
PubChem CID902634
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one
SMILESCn1c2cn[nH]c2c(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N4O/c1-14-9-7-12-13-10(9)11(16)15(14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyVVBNSRFXJMAVFH-UHFFFAOYSA-N
XLogP1.05
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one?
The IUPAC name of 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one (CID 902634) is 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one.
What is the SMILES notation for 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one?
The canonical SMILES for 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one is Cn1c2cn[nH]c2c(=O)n1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one?
The InChIKey is VVBNSRFXJMAVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-14-9-7-12-13-10(9)11(16)15(14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13).
What are the key properties of 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one?
4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one has a molecular weight of 214.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-1H-pyrazolo[4,5-c]pyrazol-6-one is sourced from PubChem (CID 902634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).