ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate

C16H27N3O2 — CID 83091200

IUPACethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)c1cn(C)nc1C
InChIInChI=1S/C16H27N3O2/c1-4-21-16(20)15(14-11-19(3)18-12(14)2)17-13-9-7-5-6-8-10-13/h11,13,15,17H,4-10H2,1-3H3
InChIKeyMAZBUURQIKIQJZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.65
Rot. Bonds5

About ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate

ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate (PubChem CID 83091200) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate
PubChem CID83091200
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)c1cn(C)nc1C
InChIInChI=1S/C16H27N3O2/c1-4-21-16(20)15(14-11-19(3)18-12(14)2)17-13-9-7-5-6-8-10-13/h11,13,15,17H,4-10H2,1-3H3
InChIKeyMAZBUURQIKIQJZ-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate
CID 66268034
cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
CID 83090918
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
CID 60998047
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584453
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate (CID 83091200) is ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate is CCOC(=O)C(NC1CCCCCC1)c1cn(C)nc1C.
What is the InChIKey of ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate?
The InChIKey is MAZBUURQIKIQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-21-16(20)15(14-11-19(3)18-12(14)2)17-13-9-7-5-6-8-10-13/h11,13,15,17H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate?
ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate has a molecular weight of 293.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate is sourced from PubChem (CID 83091200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).