5-bromo-1-(oxan-2-yl)-3-phenylpyrazole

C14H15BrN2O — CID 142770509

IUPAC5-bromo-1-(oxan-2-yl)-3-phenylpyrazole
SMILESBrc1cc(-c2ccccc2)nn1C1CCCCO1
InChIInChI=1S/C14H15BrN2O/c15-13-10-12(11-6-2-1-3-7-11)16-17(13)14-8-4-5-9-18-14/h1-3,6-7,10,14H,4-5,8-9H2
InChIKeyXAUWZQLLWBQQAI-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.01
Rot. Bonds2

About 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole

5-bromo-1-(oxan-2-yl)-3-phenylpyrazole (PubChem CID 142770509) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)-3-phenylpyrazole
PubChem CID142770509
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-1-(oxan-2-yl)-3-phenylpyrazole
SMILESBrc1cc(-c2ccccc2)nn1C1CCCCO1
InChIInChI=1S/C14H15BrN2O/c15-13-10-12(11-6-2-1-3-7-11)16-17(13)14-8-4-5-9-18-14/h1-3,6-7,10,14H,4-5,8-9H2
InChIKeyXAUWZQLLWBQQAI-UHFFFAOYSA-N
XLogP4.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(oxan-2-yl)pyrazole-3-carbonitrile
CID 167513885
7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709469
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
3-methyl-1-(oxan-2-yl)-5-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 169231053
5-(2-bromophenyl)-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole
CID 134266186
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole?
The IUPAC name of 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole (CID 142770509) is 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole is Brc1cc(-c2ccccc2)nn1C1CCCCO1.
What is the InChIKey of 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole?
The InChIKey is XAUWZQLLWBQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-13-10-12(11-6-2-1-3-7-11)16-17(13)14-8-4-5-9-18-14/h1-3,6-7,10,14H,4-5,8-9H2.
What are the key properties of 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole?
5-bromo-1-(oxan-2-yl)-3-phenylpyrazole has a molecular weight of 307.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-2-yl)-3-phenylpyrazole is sourced from PubChem (CID 142770509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).