5-(3-bromophenyl)pyrazolidine-3-carboxylic acid

C10H11BrN2O2 — CID 53404881

IUPAC5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(Br)c2)NN1
InChIInChI=1S/C10H11BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-4,8-9,12-13H,5H2,(H,14,15)
InChIKeyCAIGVVPGGUPCMV-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.44
Rot. Bonds2

About 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid

5-(3-bromophenyl)pyrazolidine-3-carboxylic acid (PubChem CID 53404881) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
PubChem CID53404881
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(Br)c2)NN1
InChIInChI=1S/C10H11BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-4,8-9,12-13H,5H2,(H,14,15)
InChIKeyCAIGVVPGGUPCMV-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728223
(2R,4R)-2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728224
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
methyl (2R,5S)-5-(3-bromophenyl)pyrrolidine-2-carboxylate
CID 166640242
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
5-(4-butylphenyl)pyrazolidine-3-carboxylic acid
CID 122363010
4-(3-bromophenyl)thiolane-3-carboxylic acid
CID 84814033
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid?
The IUPAC name of 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid (CID 53404881) is 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid?
The canonical SMILES for 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid is O=C(O)C1CC(c2cccc(Br)c2)NN1.
What is the InChIKey of 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid?
The InChIKey is CAIGVVPGGUPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-4,8-9,12-13H,5H2,(H,14,15).
What are the key properties of 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid?
5-(3-bromophenyl)pyrazolidine-3-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)pyrazolidine-3-carboxylic acid is sourced from PubChem (CID 53404881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).