4-methyl-2H-chromeno[4,3-c]pyrazol-3-one

C11H8N2O2 — CID 141059834

IUPAC4-methyl-2H-chromeno[4,3-c]pyrazol-3-one
SMILESCc1oc2ccccc2c2n[nH]c(=O)c1-2
InChIInChI=1S/C11H8N2O2/c1-6-9-10(12-13-11(9)14)7-4-2-3-5-8(7)15-6/h2-5H,1H3,(H,13,14)
InChIKeyZRUHXJSGOJDYAJ-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.93
Rot. Bonds

About 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one

4-methyl-2H-chromeno[4,3-c]pyrazol-3-one (PubChem CID 141059834) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2H-chromeno[4,3-c]pyrazol-3-one
PubChem CID141059834
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name4-methyl-2H-chromeno[4,3-c]pyrazol-3-one
SMILESCc1oc2ccccc2c2n[nH]c(=O)c1-2
InChIInChI=1S/C11H8N2O2/c1-6-9-10(12-13-11(9)14)7-4-2-3-5-8(7)15-6/h2-5H,1H3,(H,13,14)
InChIKeyZRUHXJSGOJDYAJ-UHFFFAOYSA-N
XLogP1.93
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
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CID 2824608
2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one?
The IUPAC name of 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one (CID 141059834) is 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one.
What is the SMILES notation for 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one?
The canonical SMILES for 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one is Cc1oc2ccccc2c2n[nH]c(=O)c1-2.
What is the InChIKey of 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one?
The InChIKey is ZRUHXJSGOJDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-6-9-10(12-13-11(9)14)7-4-2-3-5-8(7)15-6/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one?
4-methyl-2H-chromeno[4,3-c]pyrazol-3-one has a molecular weight of 200.20 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-chromeno[4,3-c]pyrazol-3-one is sourced from PubChem (CID 141059834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).