4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 167965174

IUPAC4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccnn2C2CCCOC2)CC1
InChIInChI=1S/C15H23N3O3/c19-15(20)11-3-5-12(6-4-11)17-14-7-8-16-18(14)13-2-1-9-21-10-13/h7-8,11-13,17H,1-6,9-10H2,(H,19,20)
InChIKeyFELAWTWTKBVOLN-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.29
Rot. Bonds4

About 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid

4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 167965174) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID167965174
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccnn2C2CCCOC2)CC1
InChIInChI=1S/C15H23N3O3/c19-15(20)11-3-5-12(6-4-11)17-14-7-8-16-18(14)13-2-1-9-21-10-13/h7-8,11-13,17H,1-6,9-10H2,(H,19,20)
InChIKeyFELAWTWTKBVOLN-UHFFFAOYSA-N
XLogP2.29
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid (CID 167965174) is 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccnn2C2CCCOC2)CC1.
What is the InChIKey of 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FELAWTWTKBVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-15(20)11-3-5-12(6-4-11)17-14-7-8-16-18(14)13-2-1-9-21-10-13/h7-8,11-13,17H,1-6,9-10H2,(H,19,20).
What are the key properties of 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167965174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).