methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate

C12H21N3O2 — CID 79595786

IUPACmethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OC)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-5-6-13-11(7-12(16)17-4)10-8-14-15(3)9(10)2/h8,11,13H,5-7H2,1-4H3
InChIKeyZEFMEIRPLZGRHY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.33
Rot. Bonds6

About methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate

methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate (PubChem CID 79595786) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
PubChem CID79595786
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OC)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-5-6-13-11(7-12(16)17-4)10-8-14-15(3)9(10)2/h8,11,13H,5-7H2,1-4H3
InChIKeyZEFMEIRPLZGRHY-UHFFFAOYSA-N
XLogP1.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
CID 79595467
1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate?
The IUPAC name of methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate (CID 79595786) is methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate?
The canonical SMILES for methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate is CCCNC(CC(=O)OC)c1cnn(C)c1C.
What is the InChIKey of methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate?
The InChIKey is ZEFMEIRPLZGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-13-11(7-12(16)17-4)10-8-14-15(3)9(10)2/h8,11,13H,5-7H2,1-4H3.
What are the key properties of methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate?
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate has a molecular weight of 239.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate is sourced from PubChem (CID 79595786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).