ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate

C13H21N3O2 — CID 43648049

IUPACethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)8-16-10(3)12(9(2)15-16)7-14-11-5-6-11/h11,14H,4-8H2,1-3H3
InChIKeyCOGFLUOLBNICDL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.32
Rot. Bonds6

About ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate

ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate (PubChem CID 43648049) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
PubChem CID43648049
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)8-16-10(3)12(9(2)15-16)7-14-11-5-6-11/h11,14H,4-8H2,1-3H3
InChIKeyCOGFLUOLBNICDL-UHFFFAOYSA-N
XLogP1.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
CID 61489671
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate
CID 83039881
ethyl 2-[4-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120834690
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate
CID 120835377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate (CID 43648049) is ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)c(CNC2CC2)c1C.
What is the InChIKey of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
The InChIKey is COGFLUOLBNICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-13(17)8-16-10(3)12(9(2)15-16)7-14-11-5-6-11/h11,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate is sourced from PubChem (CID 43648049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).