2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid

C15H25N3O3 — CID 64783644

IUPAC2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25N3O3/c1-21-10-9-17(12-15(19)20)11-13-7-8-18(16-13)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,19,20)
InChIKeyHZQMTKZTONLSSJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.92
Rot. Bonds8

About 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid

2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 64783644) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID64783644
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25N3O3/c1-21-10-9-17(12-15(19)20)11-13-7-8-18(16-13)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,19,20)
InChIKeyHZQMTKZTONLSSJ-UHFFFAOYSA-N
XLogP1.92
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
CID 107440267
2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
CID 64784800
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
1-cyclohexyl-3-ethylpyrazole
CID 66014335
5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
CID 107204922
2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid
CID 65067306
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
CID 64801182
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid (CID 64783644) is 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is HZQMTKZTONLSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-21-10-9-17(12-15(19)20)11-13-7-8-18(16-13)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,19,20).
What are the key properties of 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 64783644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).