tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate

C12H22N4O2 — CID 114556265

IUPACtert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
SMILESCCn1nccc1C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-5-16-10(6-7-14-16)9(8-13)15-11(17)18-12(2,3)4/h6-7,9H,5,8,13H2,1-4H3,(H,15,17)
InChIKeyYBKFZMUWEDYHQI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.43
Rot. Bonds4

About tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate

tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate (PubChem CID 114556265) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
PubChem CID114556265
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Nametert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
SMILESCCn1nccc1C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-5-16-10(6-7-14-16)9(8-13)15-11(17)18-12(2,3)4/h6-7,9H,5,8,13H2,1-4H3,(H,15,17)
InChIKeyYBKFZMUWEDYHQI-UHFFFAOYSA-N
XLogP1.43
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
CID 114553832
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylpyrazol-3-yl)propanoic acid
CID 104939345
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]butan-2-yl]carbamate
CID 103845011
(3S)-3-acetamido-3-(2-ethylpyrazol-3-yl)propanoic acid
CID 104939477
tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
CID 115527043
(2R)-3-(5-chloropyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 124679414
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
CID 130598570
methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate
CID 63975901
tert-butyl N-[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
CID 166163893
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
methyl 4-(5-bromopyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66988829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate (CID 114556265) is tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate is CCn1nccc1C(CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate?
The InChIKey is YBKFZMUWEDYHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-16-10(6-7-14-16)9(8-13)15-11(17)18-12(2,3)4/h6-7,9H,5,8,13H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate has a molecular weight of 254.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 114556265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).