tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate

C15H28N4O2 — CID 103851547

IUPACtert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
SMILESCc1nn(C)cc1CNC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N4O2/c1-11-12(9-19(7)18-11)8-17-15(5,6)10-16-13(20)21-14(2,3)4/h9,17H,8,10H2,1-7H3,(H,16,20)
InChIKeyLCBPQSDSJVIPLT-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.12
Rot. Bonds5

About tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate

tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate (PubChem CID 103851547) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
PubChem CID103851547
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Nametert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
SMILESCc1nn(C)cc1CNC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N4O2/c1-11-12(9-19(7)18-11)8-17-15(5,6)10-16-13(20)21-14(2,3)4/h9,17H,8,10H2,1-7H3,(H,16,20)
InChIKeyLCBPQSDSJVIPLT-UHFFFAOYSA-N
XLogP2.12
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate
CID 107249153
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851551
tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
CID 107249231
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 103851562
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
CID 112738020
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-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
CID 107249252
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate (CID 103851547) is tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate is Cc1nn(C)cc1CNC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate?
The InChIKey is LCBPQSDSJVIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11-12(9-19(7)18-11)8-17-15(5,6)10-16-13(20)21-14(2,3)4/h9,17H,8,10H2,1-7H3,(H,16,20).
What are the key properties of tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate?
tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate has a molecular weight of 296.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate is sourced from PubChem (CID 103851547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).