3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid

C15H25N3O2 — CID 65066726

IUPAC3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H25N3O2/c1-9(14-10(2)17-18(4)11(14)3)16-13-7-5-6-12(8-13)15(19)20/h9,12-13,16H,5-8H2,1-4H3,(H,19,20)
InChIKeyXXMXCWNQBXBMMC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.33
Rot. Bonds4

About 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid

3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 65066726) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID65066726
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H25N3O2/c1-9(14-10(2)17-18(4)11(14)3)16-13-7-5-6-12(8-13)15(19)20/h9,12-13,16H,5-8H2,1-4H3,(H,19,20)
InChIKeyXXMXCWNQBXBMMC-UHFFFAOYSA-N
XLogP2.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069449
3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066434
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385
tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783532
3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 106282338
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 119488745
(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 81391838
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid (CID 65066726) is 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid is Cc1nn(C)c(C)c1C(C)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is XXMXCWNQBXBMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-9(14-10(2)17-18(4)11(14)3)16-13-7-5-6-12(8-13)15(19)20/h9,12-13,16H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65066726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).