2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

C14H20BrN3O2 — CID 79571985

IUPAC2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCC1CCn1cc(Br)cn1
InChIInChI=1S/C14H20BrN3O2/c15-11-8-16-18(9-11)7-5-10-2-1-6-14(10,13(19)20)17-12-3-4-12/h8-10,12,17H,1-7H2,(H,19,20)
InChIKeyHYDUYDVWIRNOBX-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (PubChem CID 79571985) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
PubChem CID79571985
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCC1CCn1cc(Br)cn1
InChIInChI=1S/C14H20BrN3O2/c15-11-8-16-18(9-11)7-5-10-2-1-6-14(10,13(19)20)17-12-3-4-12/h8-10,12,17H,1-7H2,(H,19,20)
InChIKeyHYDUYDVWIRNOBX-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (CID 79571985) is 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCCC1CCn1cc(Br)cn1.
What is the InChIKey of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HYDUYDVWIRNOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c15-11-8-16-18(9-11)7-5-10-2-1-6-14(10,13(19)20)17-12-3-4-12/h8-10,12,17H,1-7H2,(H,19,20).
What are the key properties of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid has a molecular weight of 342.24 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).