5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole

C18H19BrN4O — CID 156792685

IUPAC5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole
SMILESCn1cc(/C=C/c2nn(C3CCCCO3)c3ccc(Br)cc23)cn1
InChIInChI=1S/C18H19BrN4O/c1-22-12-13(11-20-22)5-7-16-15-10-14(19)6-8-17(15)23(21-16)18-4-2-3-9-24-18/h5-8,10-12,18H,2-4,9H2,1H3/b7-5+
InChIKeySEVSPUVDJYVJMN-FNORWQNLSA-N
MW387.28 g/mol
LogP4.40
Rot. Bonds3

About 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole

5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole (PubChem CID 156792685) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole
PubChem CID156792685
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole
SMILESCn1cc(/C=C/c2nn(C3CCCCO3)c3ccc(Br)cc23)cn1
InChIInChI=1S/C18H19BrN4O/c1-22-12-13(11-20-22)5-7-16-15-10-14(19)6-8-17(15)23(21-16)18-4-2-3-9-24-18/h5-8,10-12,18H,2-4,9H2,1H3/b7-5+
InChIKeySEVSPUVDJYVJMN-FNORWQNLSA-N
XLogP4.40
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Bromo-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10711464
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
5-bromo-1-(oxan-2-yl)-1H-indazole
CID 53433826
3-bromo-1-(oxan-2-yl)-1H-indazole
CID 67059754
6-bromo-1-(oxan-2-yl)-1H-indazole
CID 67293240
5-Bromo-2-ethyl-2H-indazole
CID 22558977
5-Bromo-2-isopropyl-2H-indazole
CID 53216941
6-Bromo-5-fluoro-1-(tetrahydro-2H-pyran-2-YL)-1H-indazole
CID 53395670
4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 57474729
7-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 138754783
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 44238462
5-bromo-2-(tetrahydro-2H-pyran-2-yl)-2H-indazole
CID 44240529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole?
The IUPAC name of 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole (CID 156792685) is 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole is Cn1cc(/C=C/c2nn(C3CCCCO3)c3ccc(Br)cc23)cn1.
What is the InChIKey of 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole?
The InChIKey is SEVSPUVDJYVJMN-FNORWQNLSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-22-12-13(11-20-22)5-7-16-15-10-14(19)6-8-17(15)23(21-16)18-4-2-3-9-24-18/h5-8,10-12,18H,2-4,9H2,1H3/b7-5+.
What are the key properties of 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole?
5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole has a molecular weight of 387.28 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 156792685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).