ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate

C13H24N4O2 — CID 66025704

IUPACethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C13H24N4O2/c1-5-19-11(18)7-6-8-15-13-12(14)10(4)16-17(13)9(2)3/h9,15H,5-8,14H2,1-4H3
InChIKeySLGUBMOZZHGTSQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.11
Rot. Bonds7

About ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate

ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate (PubChem CID 66025704) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
PubChem CID66025704
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Nameethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C13H24N4O2/c1-5-19-11(18)7-6-8-15-13-12(14)10(4)16-17(13)9(2)3/h9,15H,5-8,14H2,1-4H3
InChIKeySLGUBMOZZHGTSQ-UHFFFAOYSA-N
XLogP2.11
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
CID 66028328
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide
CID 79394730
3-methyl-5-N-(3-methylsulfinylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 113487227
5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 113476976
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
CID 106243516
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114536241
ethyl 4-[(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)amino]butanoate
CID 64575628
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
5-N-[2-(azepan-1-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027942
(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248672

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate?
The IUPAC name of ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate (CID 66025704) is ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate?
The canonical SMILES for ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate is CCOC(=O)CCCNc1c(N)c(C)nn1C(C)C.
What is the InChIKey of ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate?
The InChIKey is SLGUBMOZZHGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-19-11(18)7-6-8-15-13-12(14)10(4)16-17(13)9(2)3/h9,15H,5-8,14H2,1-4H3.
What are the key properties of ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate?
ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate has a molecular weight of 268.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate is sourced from PubChem (CID 66025704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).