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

C16H30N4O2 — CID 103720598

IUPACtert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate
SMILESCCC(CC)(CNC(=O)OC(C)(C)C)NCc1ccnn1C
InChIInChI=1S/C16H30N4O2/c1-7-16(8-2,12-17-14(21)22-15(3,4)5)18-11-13-9-10-19-20(13)6/h9-10,18H,7-8,11-12H2,1-6H3,(H,17,21)
InChIKeySAFXUFDGMHOOMX-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.59
Rot. Bonds7

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

tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate (PubChem CID 103720598) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate
PubChem CID103720598
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate
SMILESCCC(CC)(CNC(=O)OC(C)(C)C)NCc1ccnn1C
InChIInChI=1S/C16H30N4O2/c1-7-16(8-2,12-17-14(21)22-15(3,4)5)18-11-13-9-10-19-20(13)6/h9-10,18H,7-8,11-12H2,1-6H3,(H,17,21)
InChIKeySAFXUFDGMHOOMX-UHFFFAOYSA-N
XLogP2.59
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
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tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
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tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
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tert-butyl N-[1-[[(2-methylpyrazol-3-yl)methylcarbamoylamino]methyl]cycloheptyl]carbamate
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tert-butyl N-[2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-ethylbutyl]carbamate
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tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
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N-[(2-methylpyrazol-3-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate (CID 103720598) is tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate is CCC(CC)(CNC(=O)OC(C)(C)C)NCc1ccnn1C.
What is the InChIKey of tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate?
The InChIKey is SAFXUFDGMHOOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-7-16(8-2,12-17-14(21)22-15(3,4)5)18-11-13-9-10-19-20(13)6/h9-10,18H,7-8,11-12H2,1-6H3,(H,17,21).
What are the key properties of tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate?
tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.59, 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-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate is sourced from PubChem (CID 103720598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).