1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid

C11H15N3O3 — CID 43151396

IUPAC1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cccn1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H15N3O3/c15-9(8-14-7-3-6-12-14)13-11(10(16)17)4-1-2-5-11/h3,6-7H,1-2,4-5,8H2,(H,13,15)(H,16,17)
InChIKeyHWWNWTMCSTWBTI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.40
Rot. Bonds4

About 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid

1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43151396) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43151396
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cccn1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H15N3O3/c15-9(8-14-7-3-6-12-14)13-11(10(16)17)4-1-2-5-11/h3,6-7H,1-2,4-5,8H2,(H,13,15)(H,16,17)
InChIKeyHWWNWTMCSTWBTI-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid (CID 43151396) is 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(Cn1cccn1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HWWNWTMCSTWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9(8-14-7-3-6-12-14)13-11(10(16)17)4-1-2-5-11/h3,6-7H,1-2,4-5,8H2,(H,13,15)(H,16,17).
What are the key properties of 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyrazol-1-ylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43151396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).