tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate

C17H32N4O2 — CID 107251113

IUPACtert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H32N4O2/c1-8-14(11-19-15(22)23-17(5,6)7)18-9-13-10-20-21(12-13)16(2,3)4/h10,12,14,18H,8-9,11H2,1-7H3,(H,19,22)
InChIKeyGKNSBRAYHOAZLU-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.03
Rot. Bonds6

About tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate

tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate (PubChem CID 107251113) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
PubChem CID107251113
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H32N4O2/c1-8-14(11-19-15(22)23-17(5,6)7)18-9-13-10-20-21(12-13)16(2,3)4/h10,12,14,18H,8-9,11H2,1-7H3,(H,19,22)
InChIKeyGKNSBRAYHOAZLU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250458
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304
N-[(1-tert-butylpyrazol-4-yl)methyl]hex-5-yn-3-amine
CID 115654889
tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
CID 107251255
tert-butyl N-[2-[(1-methylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253653
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345
tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]butyl]carbamate
CID 107686110
2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
CID 43778264
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206
tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate
CID 107251140
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
CID 107250820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate (CID 107251113) is tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate?
The InChIKey is GKNSBRAYHOAZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-8-14(11-19-15(22)23-17(5,6)7)18-9-13-10-20-21(12-13)16(2,3)4/h10,12,14,18H,8-9,11H2,1-7H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate?
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.03, 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-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate is sourced from PubChem (CID 107251113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).