tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate

C15H26N4O2 — CID 107462484

IUPACtert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
SMILESCCc1nn(C)cc1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-6-12-13(9-19(5)18-12)16-10-7-11(8-10)17-14(20)21-15(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,17,20)
InChIKeyLATATUYSVLFYQM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate (PubChem CID 107462484) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
PubChem CID107462484
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
SMILESCCc1nn(C)cc1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-6-12-13(9-19(5)18-12)16-10-7-11(8-10)17-14(20)21-15(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,17,20)
InChIKeyLATATUYSVLFYQM-UHFFFAOYSA-N
XLogP2.45
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
CID 99604197
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103759555
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
CID 171803882
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
N-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanamide
CID 104934563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate (CID 107462484) is tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate is CCc1nn(C)cc1NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate?
The InChIKey is LATATUYSVLFYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-12-13(9-19(5)18-12)16-10-7-11(8-10)17-14(20)21-15(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 107462484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).