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

C10H6N2O2 — CID 53383751

IUPAC2H-chromeno[4,3-c]pyrazol-3-one
SMILESO=c1[nH]nc2c3ccccc3occ1-2
InChIInChI=1S/C10H6N2O2/c13-10-7-5-14-8-4-2-1-3-6(8)9(7)11-12-10/h1-5H,(H,12,13)
InChIKeyDZEVUMSAIVIXGZ-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.62
Rot. Bonds

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

2H-chromeno[4,3-c]pyrazol-3-one (PubChem CID 53383751) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2H-chromeno[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2H-chromeno[4,3-c]pyrazol-3-one
PubChem CID53383751
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name2H-chromeno[4,3-c]pyrazol-3-one
SMILESO=c1[nH]nc2c3ccccc3occ1-2
InChIInChI=1S/C10H6N2O2/c13-10-7-5-14-8-4-2-1-3-6(8)9(7)11-12-10/h1-5H,(H,12,13)
InChIKeyDZEVUMSAIVIXGZ-UHFFFAOYSA-N
XLogP1.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-chromeno[4,3-c]pyrazol-3-one?
The IUPAC name of 2H-chromeno[4,3-c]pyrazol-3-one (CID 53383751) is 2H-chromeno[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2H-chromeno[4,3-c]pyrazol-3-one?
The canonical SMILES for 2H-chromeno[4,3-c]pyrazol-3-one is O=c1[nH]nc2c3ccccc3occ1-2.
What is the InChIKey of 2H-chromeno[4,3-c]pyrazol-3-one?
The InChIKey is DZEVUMSAIVIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c13-10-7-5-14-8-4-2-1-3-6(8)9(7)11-12-10/h1-5H,(H,12,13).
What are the key properties of 2H-chromeno[4,3-c]pyrazol-3-one?
2H-chromeno[4,3-c]pyrazol-3-one has a molecular weight of 186.17 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromeno[4,3-c]pyrazol-3-one is sourced from PubChem (CID 53383751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).