tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate

C14H22N4O4 — CID 22592956

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate
SMILES[H]/N=C(/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1cccn1
InChIInChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10(15)17-9-7-8-16-17/h7-9,15H,1-6H3/b15-10+
InChIKeyGYALMLCJYDIGKG-XNTDXEJSSA-N
MW310.35 g/mol
LogP2.84
Rot. Bonds

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate (PubChem CID 22592956) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate
PubChem CID22592956
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate
SMILES[H]/N=C(/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1cccn1
InChIInChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10(15)17-9-7-8-16-17/h7-9,15H,1-6H3/b15-10+
InChIKeyGYALMLCJYDIGKG-XNTDXEJSSA-N
XLogP2.84
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Shi-20
CID 118531131
N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
CID 4428040
N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine
CID 9605068
tert-butyl (E)-(((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate
CID 6107782
N,N'-Di-Boc-1H-pyrazole-1-carboximidamide
CID 6383521
Tert-butyl ((1H-pyrazol-1-YL)((2,2,2-trifluoroacetyl)imino)methyl)carbamate
CID 129539962
CID 142584940
CID 142584940
tert-butyl (1H-pyrazol-1-ylcarbonoimidoyl)carbamate
CID 3906757
N-Boc-1H-pyrazole-1-carboximidamide
CID 5953670
N-Boc-N'-TFA-pyrazole-1-carboxamidine, 95%
CID 126956697
1-fluorobutyl N-[(1-fluorobutoxycarbonylamino)-pyrazol-1-ylmethylidene]carbamate
CID 70181386
tert-butyl N-(2,2-difluoroethyl)-N-(N-methyl-C-pyrazol-1-ylcarbonimidoyl)carbamate
CID 155352503

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate (CID 22592956) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate is [H]/N=C(/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1cccn1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate?
The InChIKey is GYALMLCJYDIGKG-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10(15)17-9-7-8-16-17/h7-9,15H,1-6H3/b15-10+.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(pyrazole-1-carboximidoyl)carbamate is sourced from PubChem (CID 22592956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).