5-(4-butylphenyl)pyrazolidine-3-carboxylic acid

C14H20N2O2 — CID 122363010

IUPAC5-(4-butylphenyl)pyrazolidine-3-carboxylic acid
SMILESCCCCc1ccc(C2CC(C(=O)O)NN2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-8,12-13,15-16H,2-4,9H2,1H3,(H,17,18)
InChIKeyUQZGPJJUJOXUGI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.02
Rot. Bonds5

About 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid

5-(4-butylphenyl)pyrazolidine-3-carboxylic acid (PubChem CID 122363010) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-butylphenyl)pyrazolidine-3-carboxylic acid
PubChem CID122363010
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(4-butylphenyl)pyrazolidine-3-carboxylic acid
SMILESCCCCc1ccc(C2CC(C(=O)O)NN2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-8,12-13,15-16H,2-4,9H2,1H3,(H,17,18)
InChIKeyUQZGPJJUJOXUGI-UHFFFAOYSA-N
XLogP2.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylphenyl)azetidine
CID 55273387
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
(2R,4R)-4-(4-heptylphenoxy)pyrrolidine-2-carboxylic acid
CID 71070502
7-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406802
2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride
CID 141237410
5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
CID 53404881
(4-butylphenyl)methylcarbamic acid
CID 22507604
butylbenzene;carbonic acid
CID 158278492
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid?
The IUPAC name of 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid (CID 122363010) is 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid is CCCCc1ccc(C2CC(C(=O)O)NN2)cc1.
What is the InChIKey of 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid?
The InChIKey is UQZGPJJUJOXUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-8,12-13,15-16H,2-4,9H2,1H3,(H,17,18).
What are the key properties of 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid?
5-(4-butylphenyl)pyrazolidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)pyrazolidine-3-carboxylic acid is sourced from PubChem (CID 122363010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).