tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate

C17H32N4O2 — CID 106037799

IUPACtert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate
SMILESCc1c(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)cnn1C
InChIInChI=1S/C17H32N4O2/c1-13-14(12-19-20(13)8)11-18-9-10-21(16(2,3)4)15(22)23-17(5,6)7/h12,18H,9-11H2,1-8H3
InChIKeyHXWHXSZLBBCBTA-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.85
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate (PubChem CID 106037799) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate
PubChem CID106037799
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate
SMILESCc1c(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)cnn1C
InChIInChI=1S/C17H32N4O2/c1-13-14(12-19-20(13)8)11-18-9-10-21(16(2,3)4)15(22)23-17(5,6)7/h12,18H,9-11H2,1-8H3
InChIKeyHXWHXSZLBBCBTA-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]cyclobutane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate (CID 106037799) is tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate is Cc1c(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)cnn1C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate?
The InChIKey is HXWHXSZLBBCBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13-14(12-19-20(13)8)11-18-9-10-21(16(2,3)4)15(22)23-17(5,6)7/h12,18H,9-11H2,1-8H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 106037799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).