3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one

C16H11N3O2 — CID 15956882

IUPAC3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one
SMILESCc1c2c(=O)oc3ccccc3c2nn1-c1ccccn1
InChIInChI=1S/C16H11N3O2/c1-10-14-15(18-19(10)13-8-4-5-9-17-13)11-6-2-3-7-12(11)21-16(14)20/h2-9H,1H3
InChIKeyQYTLZBOIEOWURC-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.84
Rot. Bonds1

About 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one

3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one (PubChem CID 15956882) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one
PubChem CID15956882
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one
SMILESCc1c2c(=O)oc3ccccc3c2nn1-c1ccccn1
InChIInChI=1S/C16H11N3O2/c1-10-14-15(18-19(10)13-8-4-5-9-17-13)11-6-2-3-7-12(11)21-16(14)20/h2-9H,1H3
InChIKeyQYTLZBOIEOWURC-UHFFFAOYSA-N
XLogP2.84
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one?
The IUPAC name of 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one (CID 15956882) is 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one.
What is the SMILES notation for 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one?
The canonical SMILES for 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one is Cc1c2c(=O)oc3ccccc3c2nn1-c1ccccn1.
What is the InChIKey of 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one?
The InChIKey is QYTLZBOIEOWURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-14-15(18-19(10)13-8-4-5-9-17-13)11-6-2-3-7-12(11)21-16(14)20/h2-9H,1H3.
What are the key properties of 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one?
3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one has a molecular weight of 277.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-2-ylchromeno[4,3-c]pyrazol-4-one is sourced from PubChem (CID 15956882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).