3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole

C10H7BrN2O — CID 132606538

IUPAC3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole
SMILESBrc1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C10H7BrN2O/c11-10-7-5-14-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyHMHFRQOAMVYHCO-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.73
Rot. Bonds

About 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole

3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole (PubChem CID 132606538) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole
PubChem CID132606538
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole
SMILESBrc1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C10H7BrN2O/c11-10-7-5-14-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyHMHFRQOAMVYHCO-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

Analyze 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-3-phenyl-
CID 1236282
4-[6-(4-bromophenoxy)hexyl]-3,5-diethyl-1H-pyrazole
CID 6482620
(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-7-methoxy-3-phenyl-
CID 13573272
4-(4-Fluorophenyl)-3-phenyl-1,4-dihydrochromeno[4,3-c]pyrazole
CID 163359912
4-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,4-dihydrochromeno[4,3-c]pyrazole
CID 163359936
3-(Difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole
CID 69285110
1,4-Dihydrospiro(chromeno[4,3-c]pyrazole-4,1'-cyclohexane)
CID 11601167
4,4-dimethyl-1H-chromeno[3,4-d]pyrazole
CID 11571975
8-Bromo-1,4-dihydrochromeno[3,4-d]pyrazole
CID 84707364
4-Methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
CID 132606537
4-(p-Tolyl)-2,4-dihydrochromeno[4,3-c]pyrazole
CID 133064282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole?
The IUPAC name of 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole (CID 132606538) is 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole.
What is the SMILES notation for 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole?
The canonical SMILES for 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole is Brc1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole?
The InChIKey is HMHFRQOAMVYHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-10-7-5-14-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13).
What are the key properties of 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole?
3-bromo-2,4-dihydrochromeno[4,3-c]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 3-bromo-2,4-dihydrochromeno[4,3-c]pyrazole is sourced from PubChem (CID 132606538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).