6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one

C15H15BrN2O2 — CID 103573834

IUPAC6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCCCn1cc(C2CC(=O)c3cc(Br)ccc3O2)cn1
InChIInChI=1S/C15H15BrN2O2/c1-2-5-18-9-10(8-17-18)15-7-13(19)12-6-11(16)3-4-14(12)20-15/h3-4,6,8-9,15H,2,5,7H2,1H3
InChIKeyUZMRXCGMZRBNCS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.76
Rot. Bonds3

About 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one

6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 103573834) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
PubChem CID103573834
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCCCn1cc(C2CC(=O)c3cc(Br)ccc3O2)cn1
InChIInChI=1S/C15H15BrN2O2/c1-2-5-18-9-10(8-17-18)15-7-13(19)12-6-11(16)3-4-14(12)20-15/h3-4,6,8-9,15H,2,5,7H2,1H3
InChIKeyUZMRXCGMZRBNCS-UHFFFAOYSA-N
XLogP3.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 103573832
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 40901085
6-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114674444
6-bromo-2-(3,4,5-trifluorophenyl)-2,3-dihydrochromen-4-one
CID 114674398
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
CID 114283242
6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114674428
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 103571234
7-bromo-2-(4-ethylphenyl)-2,3-dihydrochromen-4-one
CID 114673270
6-bromo-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674271

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one (CID 103573834) is 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one is CCCn1cc(C2CC(=O)c3cc(Br)ccc3O2)cn1.
What is the InChIKey of 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is UZMRXCGMZRBNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-5-18-9-10(8-17-18)15-7-13(19)12-6-11(16)3-4-14(12)20-15/h3-4,6,8-9,15H,2,5,7H2,1H3.
What are the key properties of 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 335.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 103573834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).