1,4-dihydrochromeno[3,4-d]pyrazole

C10H8N2O — CID 3785748

IUPAC1,4-dihydrochromeno[3,4-d]pyrazole
SMILESc1ccc2c(c1)OCc1cn[nH]c1-2
InChIInChI=1S/C10H8N2O/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2,(H,11,12)
InChIKeyHESSNIBRKZKEDT-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.97
Rot. Bonds

About 1,4-dihydrochromeno[3,4-d]pyrazole

1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 3785748) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID3785748
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1,4-dihydrochromeno[3,4-d]pyrazole
SMILESc1ccc2c(c1)OCc1cn[nH]c1-2
InChIInChI=1S/C10H8N2O/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2,(H,11,12)
InChIKeyHESSNIBRKZKEDT-UHFFFAOYSA-N
XLogP1.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 1,4-dihydrochromeno[3,4-d]pyrazole (CID 3785748) is 1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 1,4-dihydrochromeno[3,4-d]pyrazole is c1ccc2c(c1)OCc1cn[nH]c1-2.
What is the InChIKey of 1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is HESSNIBRKZKEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2,(H,11,12).
What are the key properties of 1,4-dihydrochromeno[3,4-d]pyrazole?
1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 172.19 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 3785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).