ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate

C13H21N3O3 — CID 103484374

IUPACethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C13H21N3O3/c1-4-19-13(18)6-5-12(17)10-15(2)8-11-7-14-16(3)9-11/h7,9H,4-6,8,10H2,1-3H3
InChIKeyXMVXZNUGXVGFDQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.76
Rot. Bonds8

About ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate

ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate (PubChem CID 103484374) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate
PubChem CID103484374
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C13H21N3O3/c1-4-19-13(18)6-5-12(17)10-15(2)8-11-7-14-16(3)9-11/h7,9H,4-6,8,10H2,1-3H3
InChIKeyXMVXZNUGXVGFDQ-UHFFFAOYSA-N
XLogP0.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
ethyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]benzoate
CID 22196150
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137
methyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]butanoate
CID 34153497
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
2-ethoxy-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 63073155

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate?
The IUPAC name of ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate (CID 103484374) is ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate is CCOC(=O)CCC(=O)CN(C)Cc1cnn(C)c1.
What is the InChIKey of ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate?
The InChIKey is XMVXZNUGXVGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-13(18)6-5-12(17)10-15(2)8-11-7-14-16(3)9-11/h7,9H,4-6,8,10H2,1-3H3.
What are the key properties of ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate?
ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate has a molecular weight of 267.33 g/mol, XLogP of 0.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate is sourced from PubChem (CID 103484374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).