tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate

C20H23N5O2 — CID 169092427

IUPACtert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C20H23N5O2/c1-20(2,3)27-19(26)23-14-8-15(9-14)25-12-13(10-22-25)18-11-21-16-6-4-5-7-17(16)24-18/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,23,26)
InChIKeyPXQAJVUNTLXNJI-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate

tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate (PubChem CID 169092427) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
PubChem CID169092427
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Nametert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C20H23N5O2/c1-20(2,3)27-19(26)23-14-8-15(9-14)25-12-13(10-22-25)18-11-21-16-6-4-5-7-17(16)24-18/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,23,26)
InChIKeyPXQAJVUNTLXNJI-UHFFFAOYSA-N
XLogP3.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
CID 170778330
tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
CID 170778380
2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
CID 170778013
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
CID 169092637
tert-butyl N-[3-(4-iodopyrazol-1-yl)cyclohexyl]carbamate
CID 118227254
tert-butyl N-[3-[3-[4-(6-chloro-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propyl]carbamate
CID 170548355
[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
CID 170778313
5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
CID 175951072
bromomethane;tert-butyl N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]carbamate
CID 169112911
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate (CID 169092427) is tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1.
What is the InChIKey of tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate?
The InChIKey is PXQAJVUNTLXNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,3)27-19(26)23-14-8-15(9-14)25-12-13(10-22-25)18-11-21-16-6-4-5-7-17(16)24-18/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate?
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate has a molecular weight of 365.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate is sourced from PubChem (CID 169092427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).