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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).