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

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

Related Compounds

1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea
CID 136564529
(3R)-oxane-3-carboxylic acid
CID 42554318
4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid
CID 82378961
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
CID 134702651
5-chloro-1-(oxan-3-yl)pyrazol-4-ol
CID 117232043
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
1-[4-(oxan-3-ylamino)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048445
5-cyclopropyl-1-(oxan-3-yl)pyrazole-3-carboxylic acid
CID 175666826
4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid
CID 112710260
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
4-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033887
3-(oxan-3-yl)benzotriazole-5-carboxylic acid
CID 82784419

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).