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

C10H7BrN2O — CID 84707364

IUPAC8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESBrc1ccc2c(c1)-c1[nH]ncc1CO2
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyAMCPXNSKPDDLHL-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.73
Rot. Bonds

About 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole

8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 84707364) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID84707364
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESBrc1ccc2c(c1)-c1[nH]ncc1CO2
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyAMCPXNSKPDDLHL-UHFFFAOYSA-N
XLogP2.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazole
CID 360365
4-bromo-5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole
CID 22031377
4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole
CID 22031853
4-bromo-5-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1H-pyrazole
CID 22032246
5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 130358930
4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole
CID 154962009
5-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole
CID 176905624
1,4-Dihydrospiro(chromeno[4,3-c]pyrazole-4,1'-cyclohexane)
CID 11601167
4,4-dimethyl-1H-chromeno[3,4-d]pyrazole
CID 11571975
3-Pyrazolylbenzopyran
CID 121007731
4-Pyrazolylchroman
CID 129877764

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole (CID 84707364) is 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole is Brc1ccc2c(c1)-c1[nH]ncc1CO2.
What is the InChIKey of 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is AMCPXNSKPDDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13).
What are the key properties of 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole?
8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 251.08 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 84707364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).