1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid

C11H16ClN3O2 — CID 79649254

IUPAC1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1nn(C2CCC(N)(C(=O)O)C2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-6-9(12)7(2)15(14-6)8-3-4-11(13,5-8)10(16)17/h8H,3-5,13H2,1-2H3,(H,16,17)
InChIKeyBYRUVMOSCKICKR-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.66
Rot. Bonds2

About 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid

1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79649254) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79649254
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1nn(C2CCC(N)(C(=O)O)C2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-6-9(12)7(2)15(14-6)8-3-4-11(13,5-8)10(16)17/h8H,3-5,13H2,1-2H3,(H,16,17)
InChIKeyBYRUVMOSCKICKR-UHFFFAOYSA-N
XLogP1.66
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid (CID 79649254) is 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid is Cc1nn(C2CCC(N)(C(=O)O)C2)c(C)c1Cl.
What is the InChIKey of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is BYRUVMOSCKICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-6-9(12)7(2)15(14-6)8-3-4-11(13,5-8)10(16)17/h8H,3-5,13H2,1-2H3,(H,16,17).
What are the key properties of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 257.72 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).