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

C11H20N4O2 — CID 114553832

IUPACtert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
SMILESCn1nccc1C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-8(7-12)9-5-6-13-15(9)4/h5-6,8H,7,12H2,1-4H3,(H,14,16)
InChIKeyQEMWKGJOPLPPRL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.94
Rot. Bonds3

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

tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate (PubChem CID 114553832) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
PubChem CID114553832
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
SMILESCn1nccc1C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-8(7-12)9-5-6-13-15(9)4/h5-6,8H,7,12H2,1-4H3,(H,14,16)
InChIKeyQEMWKGJOPLPPRL-UHFFFAOYSA-N
XLogP0.94
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylpyrazol-3-yl)propanoic acid
CID 104939345
tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
CID 114556265
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
CID 130598570
tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
CID 115527043
tert-butyl N-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylpyrazol-3-yl)propylidene]carbamate
CID 90997161
[2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105307544
tert-butyl N-[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
CID 166163893
(3S)-3-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79584929
tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate
CID 107093787
4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid
CID 114554584
tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
CID 59419420
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-methylpyrazol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate (CID 114553832) is tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate is Cn1nccc1C(CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate?
The InChIKey is QEMWKGJOPLPPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-8(7-12)9-5-6-13-15(9)4/h5-6,8H,7,12H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate has a molecular weight of 240.31 g/mol, XLogP of 0.94, 3 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-methylpyrazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 114553832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).