ethyl 4-(1H-indazole-3-carbonylamino)butanoate

C14H17N3O3 — CID 60637293

IUPACethyl 4-(1H-indazole-3-carbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-2-20-12(18)8-5-9-15-14(19)13-10-6-3-4-7-11(10)16-17-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,19)(H,16,17)
InChIKeyAPMZQZDMSQKFTN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.64
Rot. Bonds6

About ethyl 4-(1H-indazole-3-carbonylamino)butanoate

ethyl 4-(1H-indazole-3-carbonylamino)butanoate (PubChem CID 60637293) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 4-(1H-indazole-3-carbonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(1H-indazole-3-carbonylamino)butanoate
PubChem CID60637293
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 4-(1H-indazole-3-carbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-2-20-12(18)8-5-9-15-14(19)13-10-6-3-4-7-11(10)16-17-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,19)(H,16,17)
InChIKeyAPMZQZDMSQKFTN-UHFFFAOYSA-N
XLogP1.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
CID 99434673
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-indazole-3-carbonylamino)butanoate?
The IUPAC name of ethyl 4-(1H-indazole-3-carbonylamino)butanoate (CID 60637293) is ethyl 4-(1H-indazole-3-carbonylamino)butanoate.
What is the SMILES notation for ethyl 4-(1H-indazole-3-carbonylamino)butanoate?
The canonical SMILES for ethyl 4-(1H-indazole-3-carbonylamino)butanoate is CCOC(=O)CCCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of ethyl 4-(1H-indazole-3-carbonylamino)butanoate?
The InChIKey is APMZQZDMSQKFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-20-12(18)8-5-9-15-14(19)13-10-6-3-4-7-11(10)16-17-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,19)(H,16,17).
What are the key properties of ethyl 4-(1H-indazole-3-carbonylamino)butanoate?
ethyl 4-(1H-indazole-3-carbonylamino)butanoate has a molecular weight of 275.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-indazole-3-carbonylamino)butanoate is sourced from PubChem (CID 60637293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).