tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate

C20H25N5O2 — CID 170778380

IUPACtert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCn1cc(-c2cnc3ccccc3n2)cn1
InChIInChI=1S/C20H25N5O2/c1-20(2,3)27-19(26)21-10-6-7-11-25-14-15(12-23-25)18-13-22-16-8-4-5-9-17(16)24-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,26)
InChIKeyZUGHCFBWDFSEEH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate

tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate (PubChem CID 170778380) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
PubChem CID170778380
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Nametert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCn1cc(-c2cnc3ccccc3n2)cn1
InChIInChI=1S/C20H25N5O2/c1-20(2,3)27-19(26)21-10-6-7-11-25-14-15(12-23-25)18-13-22-16-8-4-5-9-17(16)24-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,26)
InChIKeyZUGHCFBWDFSEEH-UHFFFAOYSA-N
XLogP3.80
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate 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

tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate
CID 146020705
tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
CID 170777927
CID 154687839
CID 154687839
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
CID 174190296
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-4-carboxylic acid
CID 162677574
N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide
CID 175695211
tert-butyl (2S)-2-(1,3-dioxoisoindol-2-yl)oxy-3-[4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazol-4-yl]phenoxy]propanoate
CID 129250740
tert-butyl N-[3-(1,2,4-benzotriazin-3-ylamino)propyl]carbamate
CID 103204542
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
tert-butyl N-[3-[4-(4-amino-2-chloro-3-methylphenyl)pyrazol-1-yl]propyl]carbamate
CID 171916573
(2R)-3-[3-chloro-4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazol-4-yl]phenoxy]-2-hydroxypropanoic acid
CID 129250706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate (CID 170778380) is tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate is CC(C)(C)OC(=O)NCCCCn1cc(-c2cnc3ccccc3n2)cn1.
What is the InChIKey of tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
The InChIKey is ZUGHCFBWDFSEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2,3)27-19(26)21-10-6-7-11-25-14-15(12-23-25)18-13-22-16-8-4-5-9-17(16)24-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,26).
What are the key properties of tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate is sourced from PubChem (CID 170778380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).