(2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone

C17H17BrN2O2 — CID 14690322

IUPAC(2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1C(O)CCN1Cc1ccccc1
InChIInChI=1S/C17H17BrN2O2/c18-15-8-6-14(7-9-15)17(22)20-16(21)10-11-19(20)12-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2
InChIKeyXOUFTDFSTWIBQZ-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.03
Rot. Bonds3

About (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone

(2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone (PubChem CID 14690322) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone
PubChem CID14690322
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name(2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1C(O)CCN1Cc1ccccc1
InChIInChI=1S/C17H17BrN2O2/c18-15-8-6-14(7-9-15)17(22)20-16(21)10-11-19(20)12-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2
InChIKeyXOUFTDFSTWIBQZ-UHFFFAOYSA-N
XLogP3.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-2-benzyl-4-(4-bromobenzoyl)-3a,5,6,6a-tetrahydropyrrolo[2,3-d][1,2]oxazol-3-one
CID 124855545
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
3-(1-benzylpiperidin-4-yl)-1-(4-bromophenyl)prop-2-en-1-one
CID 175477502
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
[4-(benzylamino)-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 102454450
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643
1-benzyl-2-(4-bromophenyl)piperidin-4-ol
CID 22128023
(4-bromophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396170
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
1,2-dibenzylpyrazolidin-4-ol
CID 12543345

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone?
The IUPAC name of (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone (CID 14690322) is (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)N1C(O)CCN1Cc1ccccc1.
What is the InChIKey of (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone?
The InChIKey is XOUFTDFSTWIBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c18-15-8-6-14(7-9-15)17(22)20-16(21)10-11-19(20)12-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2.
What are the key properties of (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone?
(2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone has a molecular weight of 361.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 14690322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).