6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

C14H15BrN2O2 — CID 103571234

IUPAC6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCn1cc(C2CC(O)c3cc(Br)ccc3O2)cn1
InChIInChI=1S/C14H15BrN2O2/c1-2-17-8-9(7-16-17)14-6-12(18)11-5-10(15)3-4-13(11)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3
InChIKeyRHZIOFHLAMWOFF-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.22
Rot. Bonds2

About 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 103571234) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID103571234
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCn1cc(C2CC(O)c3cc(Br)ccc3O2)cn1
InChIInChI=1S/C14H15BrN2O2/c1-2-17-8-9(7-16-17)14-6-12(18)11-5-10(15)3-4-13(11)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3
InChIKeyRHZIOFHLAMWOFF-UHFFFAOYSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol 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

7-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714674
(4S)-6-bromo-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951129
6-bromo-2-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715614
6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715570
(4R)-6-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947501
(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 103571272
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951096
(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103571287
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
(4R)-2-(1,3-benzodioxol-5-yl)-6-bromo-3,4-dihydro-2H-chromen-4-ol
CID 104951434
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
(4S)-6-bromo-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104951173

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 103571234) is 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is CCn1cc(C2CC(O)c3cc(Br)ccc3O2)cn1.
What is the InChIKey of 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is RHZIOFHLAMWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-17-8-9(7-16-17)14-6-12(18)11-5-10(15)3-4-13(11)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3.
What are the key properties of 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 323.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 103571234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).