tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole

C18H28N4O2 — CID 159945137

IUPACtert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole
SMILESCC(C)(C)OC=O.CCc1[nH]nc2cc(N3CCNCC3)ccc12
InChIInChI=1S/C13H18N4.C5H10O2/c1-2-12-11-4-3-10(9-13(11)16-15-12)17-7-5-14-6-8-17;1-5(2,3)7-4-6/h3-4,9,14H,2,5-8H2,1H3,(H,15,16);4H,1-3H3
InChIKeyOBJQPVSXNAFPOS-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole

tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole (PubChem CID 159945137) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole.

Molecular Properties

Compound Nametert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole
PubChem CID159945137
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Nametert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole
SMILESCC(C)(C)OC=O.CCc1[nH]nc2cc(N3CCNCC3)ccc12
InChIInChI=1S/C13H18N4.C5H10O2/c1-2-12-11-4-3-10(9-13(11)16-15-12)17-7-5-14-6-8-17;1-5(2,3)7-4-6/h3-4,9,14H,2,5-8H2,1H3,(H,15,16);4H,1-3H3
InChIKeyOBJQPVSXNAFPOS-UHFFFAOYSA-N
XLogP2.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-6-piperazin-1-yl-2H-indazole
CID 59781257
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
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tert-butyl formate;6-piperazin-1-yl-1H-indole
CID 175263131
(2-bromo-5-piperazin-1-ylphenyl)methanol;tert-butyl formate
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tert-butyl formate;1-(3-methyl-4-nitrophenyl)piperazine
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tert-butyl formate;1-(3-iodophenyl)piperazine
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tert-butyl formate;2-methoxy-5-piperazin-1-ylaniline
CID 159836584
tert-butyl formate;2-(4-piperazin-1-ylphenyl)ethanamine
CID 174927711
tert-butyl formate;5-piperazin-1-ylpyridine-2-carbonitrile
CID 158770552
6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine
CID 161061761
6-piperidin-1-yl-2H-indazole-3-carbaldehyde
CID 82391057
7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
CID 139772933

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole?
The IUPAC name of tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole (CID 159945137) is tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole.
What is the SMILES notation for tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole?
The canonical SMILES for tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole is CC(C)(C)OC=O.CCc1[nH]nc2cc(N3CCNCC3)ccc12.
What is the InChIKey of tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole?
The InChIKey is OBJQPVSXNAFPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.C5H10O2/c1-2-12-11-4-3-10(9-13(11)16-15-12)17-7-5-14-6-8-17;1-5(2,3)7-4-6/h3-4,9,14H,2,5-8H2,1H3,(H,15,16);4H,1-3H3.
What are the key properties of tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole?
tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole has a molecular weight of 332.45 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole is sourced from PubChem (CID 159945137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).