1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid

C17H25N3O3 — CID 167831674

IUPAC1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid
SMILESO=C(Cn1ccc(C(=O)O)n1)NC1CCCCC12CCCCC2
InChIInChI=1S/C17H25N3O3/c21-15(12-20-11-7-13(19-20)16(22)23)18-14-6-2-5-10-17(14)8-3-1-4-9-17/h7,11,14H,1-6,8-10,12H2,(H,18,21)(H,22,23)
InChIKeyUPZMQMAXGQEHOT-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid

1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid (PubChem CID 167831674) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid
PubChem CID167831674
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid
SMILESO=C(Cn1ccc(C(=O)O)n1)NC1CCCCC12CCCCC2
InChIInChI=1S/C17H25N3O3/c21-15(12-20-11-7-13(19-20)16(22)23)18-14-6-2-5-10-17(14)8-3-1-4-9-17/h7,11,14H,1-6,8-10,12H2,(H,18,21)(H,22,23)
InChIKeyUPZMQMAXGQEHOT-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid (CID 167831674) is 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid is O=C(Cn1ccc(C(=O)O)n1)NC1CCCCC12CCCCC2.
What is the InChIKey of 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid?
The InChIKey is UPZMQMAXGQEHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-15(12-20-11-7-13(19-20)16(22)23)18-14-6-2-5-10-17(14)8-3-1-4-9-17/h7,11,14H,1-6,8-10,12H2,(H,18,21)(H,22,23).
What are the key properties of 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid?
1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 167831674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).