ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate

C13H23N3O3 — CID 114274344

IUPACethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate
SMILESCCCOc1cnn(CCC(NC)C(=O)OCC)c1
InChIInChI=1S/C13H23N3O3/c1-4-8-19-11-9-15-16(10-11)7-6-12(14-3)13(17)18-5-2/h9-10,12,14H,4-8H2,1-3H3
InChIKeyBNFMJJMKNQNTSV-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.21
Rot. Bonds9

About ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate

ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate (PubChem CID 114274344) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate
PubChem CID114274344
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate
SMILESCCCOc1cnn(CCC(NC)C(=O)OCC)c1
InChIInChI=1S/C13H23N3O3/c1-4-8-19-11-9-15-16(10-11)7-6-12(14-3)13(17)18-5-2/h9-10,12,14H,4-8H2,1-3H3
InChIKeyBNFMJJMKNQNTSV-UHFFFAOYSA-N
XLogP1.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-oxo-4-(4-propoxypyrazol-1-yl)butanoate
CID 114273816
4-propoxy-1-propylpyrazole
CID 116805185
ethyl 4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
CID 63039754
ethyl 4-(4-bromopyrazol-1-yl)-2-(propylamino)butanoate
CID 63041254
ethyl 4-(4-chloropyrazol-1-yl)-2-(propylamino)butanoate
CID 63040126
ethyl 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanoate
CID 63039386
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
CID 116800069
N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
CID 114274287
4-(1-propylpyrazol-4-yl)oxypentanehydrazide
CID 116804100
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate?
The IUPAC name of ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate (CID 114274344) is ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate?
The canonical SMILES for ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate is CCCOc1cnn(CCC(NC)C(=O)OCC)c1.
What is the InChIKey of ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate?
The InChIKey is BNFMJJMKNQNTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-8-19-11-9-15-16(10-11)7-6-12(14-3)13(17)18-5-2/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate?
ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate has a molecular weight of 269.34 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate is sourced from PubChem (CID 114274344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).