ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate

C13H23N3O2 — CID 83040611

IUPACethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
SMILESCCCC(NCCc1cnn(C)c1)C(=O)OCC
InChIInChI=1S/C13H23N3O2/c1-4-6-12(13(17)18-5-2)14-8-7-11-9-15-16(3)10-11/h9-10,12,14H,4-8H2,1-3H3
InChIKeyRUGYUZCERGOHRN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.28
Rot. Bonds8

About ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate

ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate (PubChem CID 83040611) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
PubChem CID83040611
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nameethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
SMILESCCCC(NCCc1cnn(C)c1)C(=O)OCC
InChIInChI=1S/C13H23N3O2/c1-4-6-12(13(17)18-5-2)14-8-7-11-9-15-16(3)10-11/h9-10,12,14H,4-8H2,1-3H3
InChIKeyRUGYUZCERGOHRN-UHFFFAOYSA-N
XLogP1.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]hexanoate
CID 103258279
ethyl 2-[(1-methylpyrazol-4-yl)methylamino]butanoate
CID 64668955
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 103831501
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
ethyl 2-(propylamino)pentanoate
CID 21021838
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
ethyl (E)-4-[2-(1-methylpyrazol-4-yl)ethylamino]but-2-enoate
CID 80689070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate?
The IUPAC name of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate (CID 83040611) is ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate.
What is the SMILES notation for ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate?
The canonical SMILES for ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate is CCCC(NCCc1cnn(C)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate?
The InChIKey is RUGYUZCERGOHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-12(13(17)18-5-2)14-8-7-11-9-15-16(3)10-11/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate?
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate has a molecular weight of 253.35 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate is sourced from PubChem (CID 83040611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).