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

C10H8N2O — CID 68646545

IUPAC3,4-dihydrochromeno[4,3-d]pyrazole
SMILESc1ccc2c(c1)OCc1[nH]ncc1-2
InChIInChI=1S/C10H8N2O/c1-2-4-10-7(3-1)8-5-11-12-9(8)6-13-10/h1-5H,6H2,(H,11,12)
InChIKeyJAUYZKHUJVKHGK-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.97
Rot. Bonds

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

3,4-dihydrochromeno[4,3-d]pyrazole (PubChem CID 68646545) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 3,4-dihydrochromeno[4,3-d]pyrazole.

Molecular Properties

Compound Name3,4-dihydrochromeno[4,3-d]pyrazole
PubChem CID68646545
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name3,4-dihydrochromeno[4,3-d]pyrazole
SMILESc1ccc2c(c1)OCc1[nH]ncc1-2
InChIInChI=1S/C10H8N2O/c1-2-4-10-7(3-1)8-5-11-12-9(8)6-13-10/h1-5H,6H2,(H,11,12)
InChIKeyJAUYZKHUJVKHGK-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 3,4-dihydrochromeno[4,3-d]pyrazole?
The IUPAC name of 3,4-dihydrochromeno[4,3-d]pyrazole (CID 68646545) is 3,4-dihydrochromeno[4,3-d]pyrazole.
What is the SMILES notation for 3,4-dihydrochromeno[4,3-d]pyrazole?
The canonical SMILES for 3,4-dihydrochromeno[4,3-d]pyrazole is c1ccc2c(c1)OCc1[nH]ncc1-2.
What is the InChIKey of 3,4-dihydrochromeno[4,3-d]pyrazole?
The InChIKey is JAUYZKHUJVKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-4-10-7(3-1)8-5-11-12-9(8)6-13-10/h1-5H,6H2,(H,11,12).
What are the key properties of 3,4-dihydrochromeno[4,3-d]pyrazole?
3,4-dihydrochromeno[4,3-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 3,4-dihydrochromeno[4,3-d]pyrazole is sourced from PubChem (CID 68646545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).