tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate

C15H28N4O2 — CID 107251304

IUPACtert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccnn1CC
InChIInChI=1S/C15H28N4O2/c1-6-12(10-17-14(20)21-15(3,4)5)16-11-13-8-9-18-19(13)7-2/h8-9,12,16H,6-7,10-11H2,1-5H3,(H,17,20)
InChIKeyMVVRWTWIYKCEIB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.30
Rot. Bonds7

About tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate

tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate (PubChem CID 107251304) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
PubChem CID107251304
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Nametert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccnn1CC
InChIInChI=1S/C15H28N4O2/c1-6-12(10-17-14(20)21-15(3,4)5)16-11-13-8-9-18-19(13)7-2/h8-9,12,16H,6-7,10-11H2,1-5H3,(H,17,20)
InChIKeyMVVRWTWIYKCEIB-UHFFFAOYSA-N
XLogP2.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107254264
tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
CID 107251255
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]butan-2-yl]carbamate
CID 103845011
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
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-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]butyl]carbamate
CID 107686110
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate (CID 107251304) is tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCc1ccnn1CC.
What is the InChIKey of tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate?
The InChIKey is MVVRWTWIYKCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-12(10-17-14(20)21-15(3,4)5)16-11-13-8-9-18-19(13)7-2/h8-9,12,16H,6-7,10-11H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate?
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate has a molecular weight of 296.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate is sourced from PubChem (CID 107251304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).