ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate

C14H25N3O2 — CID 63040695

IUPACethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate
SMILESCCNC(CCn1nc(C)c(C)c1C)C(=O)OCC
InChIInChI=1S/C14H25N3O2/c1-6-15-13(14(18)19-7-2)8-9-17-12(5)10(3)11(4)16-17/h13,15H,6-9H2,1-5H3
InChIKeyRJBWWJNLFIHEFR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.74
Rot. Bonds7

About ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate

ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate (PubChem CID 63040695) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate
PubChem CID63040695
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate
SMILESCCNC(CCn1nc(C)c(C)c1C)C(=O)OCC
InChIInChI=1S/C14H25N3O2/c1-6-15-13(14(18)19-7-2)8-9-17-12(5)10(3)11(4)16-17/h13,15H,6-9H2,1-5H3
InChIKeyRJBWWJNLFIHEFR-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoic acid
CID 63040881
2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 64809875
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine
CID 62043193
ethyl 2-(ethylamino)-4-propylsulfanylbutanoate
CID 63035701
ethyl (2S)-2-(ethylamino)-4-ethylsulfanylbutanoate
CID 151544436
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
CID 63033263
3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 64897360
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
ethyl 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanoate
CID 63039386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate (CID 63040695) is ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate is CCNC(CCn1nc(C)c(C)c1C)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate?
The InChIKey is RJBWWJNLFIHEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-15-13(14(18)19-7-2)8-9-17-12(5)10(3)11(4)16-17/h13,15H,6-9H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate?
ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate has a molecular weight of 267.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate is sourced from PubChem (CID 63040695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).