ethyl 1-(4-aminobutyl)indazole-5-carboxylate

C14H19N3O2 — CID 10659083

IUPACethyl 1-(4-aminobutyl)indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(cnn2CCCCN)c1
InChIInChI=1S/C14H19N3O2/c1-2-19-14(18)11-5-6-13-12(9-11)10-16-17(13)8-4-3-7-15/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyBUVRKKGRVFTMFI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.95
Rot. Bonds6

About ethyl 1-(4-aminobutyl)indazole-5-carboxylate

ethyl 1-(4-aminobutyl)indazole-5-carboxylate (PubChem CID 10659083) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 1-(4-aminobutyl)indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-aminobutyl)indazole-5-carboxylate
PubChem CID10659083
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 1-(4-aminobutyl)indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(cnn2CCCCN)c1
InChIInChI=1S/C14H19N3O2/c1-2-19-14(18)11-5-6-13-12(9-11)10-16-17(13)8-4-3-7-15/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyBUVRKKGRVFTMFI-UHFFFAOYSA-N
XLogP1.95
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethoxycarbonylindazol-1-yl)acetic acid
CID 18388152
ethyl 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazole-5-carboxylate
CID 19084979
ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate
CID 90314567
ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate
CID 70155485
1-[3-(dimethylamino)propyl]indazole-5-carboxamide
CID 22933619
ethyl 1-tritylindazole-5-carboxylate
CID 141079156
ethyl 1-(2-aminoethyl)benzotriazole-5-carboxylate
CID 91811951
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
ethyl 1-(2-azidopropyl)indazole-6-carboxylate
CID 86760620
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 118378622
ethyl 1-formylindole-5-carboxylate
CID 139975474

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminobutyl)indazole-5-carboxylate?
The IUPAC name of ethyl 1-(4-aminobutyl)indazole-5-carboxylate (CID 10659083) is ethyl 1-(4-aminobutyl)indazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(4-aminobutyl)indazole-5-carboxylate?
The canonical SMILES for ethyl 1-(4-aminobutyl)indazole-5-carboxylate is CCOC(=O)c1ccc2c(cnn2CCCCN)c1.
What is the InChIKey of ethyl 1-(4-aminobutyl)indazole-5-carboxylate?
The InChIKey is BUVRKKGRVFTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-19-14(18)11-5-6-13-12(9-11)10-16-17(13)8-4-3-7-15/h5-6,9-10H,2-4,7-8,15H2,1H3.
What are the key properties of ethyl 1-(4-aminobutyl)indazole-5-carboxylate?
ethyl 1-(4-aminobutyl)indazole-5-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminobutyl)indazole-5-carboxylate is sourced from PubChem (CID 10659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).