tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate

C12H21N5O3 — CID 175977664

IUPACtert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate
SMILESCN(C)C(=O)n1ncc(CNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C12H21N5O3/c1-12(2,3)20-10(18)14-6-8-7-15-17(9(8)13)11(19)16(4)5/h7H,6,13H2,1-5H3,(H,14,18)
InChIKeyKUXXZQMCRLBCHP-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.02
Rot. Bonds2

About tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate

tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate (PubChem CID 175977664) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate
PubChem CID175977664
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate
SMILESCN(C)C(=O)n1ncc(CNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C12H21N5O3/c1-12(2,3)20-10(18)14-6-8-7-15-17(9(8)13)11(19)16(4)5/h7H,6,13H2,1-5H3,(H,14,18)
InChIKeyKUXXZQMCRLBCHP-UHFFFAOYSA-N
XLogP1.02
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
CID 91816981
tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86597875
tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate
CID 84728085
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
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2-(aminomethyl)aniline;tert-butyl N-[(2-aminophenyl)methyl]carbamate
CID 159590689
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851551
tert-butyl N-[[1-[[4-(hydroxymethyl)phenyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 110006016
tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
CID 107247162
tert-butyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 171666541
tert-butyl N-[(5-chloro-6-oxo-1H-pyridazin-4-yl)methyl]carbamate
CID 169128766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate (CID 175977664) is tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate is CN(C)C(=O)n1ncc(CNC(=O)OC(C)(C)C)c1N.
What is the InChIKey of tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate?
The InChIKey is KUXXZQMCRLBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-12(2,3)20-10(18)14-6-8-7-15-17(9(8)13)11(19)16(4)5/h7H,6,13H2,1-5H3,(H,14,18).
What are the key properties of tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate?
tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-amino-1-(dimethylcarbamoyl)pyrazol-4-yl]methyl]carbamate is sourced from PubChem (CID 175977664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).