ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate

C13H22N4O3 — CID 64581941

IUPACethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate
SMILESCCCc1[nH]nc(C(=O)NCCCC(=O)OCC)c1N
InChIInChI=1S/C13H22N4O3/c1-3-6-9-11(14)12(17-16-9)13(19)15-8-5-7-10(18)20-4-2/h3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyAFWVDUTXLLEYBM-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.02
Rot. Bonds8

About ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate

ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate (PubChem CID 64581941) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate
PubChem CID64581941
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Nameethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate
SMILESCCCc1[nH]nc(C(=O)NCCCC(=O)OCC)c1N
InChIInChI=1S/C13H22N4O3/c1-3-6-9-11(14)12(17-16-9)13(19)15-8-5-7-10(18)20-4-2/h3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyAFWVDUTXLLEYBM-UHFFFAOYSA-N
XLogP1.02
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076097
4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106332637
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-hex-5-ynyl-5-propyl-1H-pyrazole-3-carboxamide
CID 114158301
4-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62498759
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
CID 55033924
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
4-amino-5-propyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 114187152
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106368577

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate (CID 64581941) is ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate is CCCc1[nH]nc(C(=O)NCCCC(=O)OCC)c1N.
What is the InChIKey of ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate?
The InChIKey is AFWVDUTXLLEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-6-9-11(14)12(17-16-9)13(19)15-8-5-7-10(18)20-4-2/h3-8,14H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate?
ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate has a molecular weight of 282.34 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate is sourced from PubChem (CID 64581941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).