2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid

C15H23N3O3 — CID 61459546

IUPAC2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCn2cccn2)CCCCC1
InChIInChI=1S/C15H23N3O3/c19-13(16-8-10-18-9-4-7-17-18)11-15(12-14(20)21)5-2-1-3-6-15/h4,7,9H,1-3,5-6,8,10-12H2,(H,16,19)(H,20,21)
InChIKeySFYRSIJBMXDGCU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.81
Rot. Bonds7

About 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid (PubChem CID 61459546) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
PubChem CID61459546
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCn2cccn2)CCCCC1
InChIInChI=1S/C15H23N3O3/c19-13(16-8-10-18-9-4-7-17-18)11-15(12-14(20)21)5-2-1-3-6-15/h4,7,9H,1-3,5-6,8,10-12H2,(H,16,19)(H,20,21)
InChIKeySFYRSIJBMXDGCU-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 104678011
N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 125431920
2-(1-aminocyclopentyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 64677819
2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 81165316
2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 111432305
1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61461432
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 106305188
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid (CID 61459546) is 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCCn2cccn2)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid?
The InChIKey is SFYRSIJBMXDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-13(16-8-10-18-9-4-7-17-18)11-15(12-14(20)21)5-2-1-3-6-15/h4,7,9H,1-3,5-6,8,10-12H2,(H,16,19)(H,20,21).
What are the key properties of 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 61459546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).