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

C14H22BrN3O2 — CID 79571204

IUPAC2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCn1cc(Br)cn1
InChIInChI=1S/C14H22BrN3O2/c1-10(2)17-14(13(19)20)6-3-4-11(14)5-7-18-9-12(15)8-16-18/h8-11,17H,3-7H2,1-2H3,(H,19,20)
InChIKeyACAIFRROICWQEC-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.66
Rot. Bonds6

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

2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79571204) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79571204
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCn1cc(Br)cn1
InChIInChI=1S/C14H22BrN3O2/c1-10(2)17-14(13(19)20)6-3-4-11(14)5-7-18-9-12(15)8-16-18/h8-11,17H,3-7H2,1-2H3,(H,19,20)
InChIKeyACAIFRROICWQEC-UHFFFAOYSA-N
XLogP2.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.66
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-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79571204) is 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCCC1CCn1cc(Br)cn1.
What is the InChIKey of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ACAIFRROICWQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-10(2)17-14(13(19)20)6-3-4-11(14)5-7-18-9-12(15)8-16-18/h8-11,17H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 344.25 g/mol, XLogP of 2.66, 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-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).