tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate

C17H32N4O2 — CID 107249153

IUPACtert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate
SMILESCC(C)c1nn(C)cc1CNC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-12(2)14-13(10-21(8)20-14)9-19-17(6,7)11-18-15(22)23-16(3,4)5/h10,12,19H,9,11H2,1-8H3,(H,18,22)
InChIKeyLUIPSGJDYRLZPY-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.94
Rot. Bonds6

About tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate

tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate (PubChem CID 107249153) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate
PubChem CID107249153
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate
SMILESCC(C)c1nn(C)cc1CNC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-12(2)14-13(10-21(8)20-14)9-19-17(6,7)11-18-15(22)23-16(3,4)5/h10,12,19H,9,11H2,1-8H3,(H,18,22)
InChIKeyLUIPSGJDYRLZPY-UHFFFAOYSA-N
XLogP2.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851547
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851551
tert-butyl N-[2-[(2,3-dihydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249254
tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103527141
tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
CID 107249231
tert-butyl N-[2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103887696
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
CID 107249252
tert-butyl N-[(E)-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]but-2-enyl]carbamate
CID 107253311
tert-butyl N-[(2R)-2,3-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]butyl]carbamate
CID 129397429
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249155
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate (CID 107249153) is tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate is CC(C)c1nn(C)cc1CNC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate?
The InChIKey is LUIPSGJDYRLZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-12(2)14-13(10-21(8)20-14)9-19-17(6,7)11-18-15(22)23-16(3,4)5/h10,12,19H,9,11H2,1-8H3,(H,18,22).
What are the key properties of tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate?
tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 107249153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).