3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C14H15N3O2 — CID 56588813

IUPAC3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOCc1[nH]nc2c1C(c1ccc(C)cc1)NC2=O
InChIInChI=1S/C14H15N3O2/c1-8-3-5-9(6-4-8)12-11-10(7-19-2)16-17-13(11)14(18)15-12/h3-6,12H,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMQIROTQHHWLXGE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.70
Rot. Bonds3

About 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 56588813) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID56588813
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOCc1[nH]nc2c1C(c1ccc(C)cc1)NC2=O
InChIInChI=1S/C14H15N3O2/c1-8-3-5-9(6-4-8)12-11-10(7-19-2)16-17-13(11)14(18)15-12/h3-6,12H,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMQIROTQHHWLXGE-UHFFFAOYSA-N
XLogP1.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 56588813) is 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is COCc1[nH]nc2c1C(c1ccc(C)cc1)NC2=O.
What is the InChIKey of 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is MQIROTQHHWLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-3-5-9(6-4-8)12-11-10(7-19-2)16-17-13(11)14(18)15-12/h3-6,12H,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 257.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 56588813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).