tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate

C12H22N4O2 — CID 107236845

IUPACtert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate
SMILESCc1nn(C)cc1C(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-8(10-7-16(6)15-9(10)2)13-14-11(17)18-12(3,4)5/h7-8,13H,1-6H3,(H,14,17)
InChIKeyQPUNPZFLWDZWAT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.82
Rot. Bonds3

About tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate

tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate (PubChem CID 107236845) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate
PubChem CID107236845
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Nametert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate
SMILESCc1nn(C)cc1C(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-8(10-7-16(6)15-9(10)2)13-14-11(17)18-12(3,4)5/h7-8,13H,1-6H3,(H,14,17)
InChIKeyQPUNPZFLWDZWAT-UHFFFAOYSA-N
XLogP1.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(1,3-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 83089458
tert-butyl N-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780582
tert-butyl N-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoylamino]ethyl]-N-methylcarbamate
CID 95573082
tert-butyl N-[1-(2-hydroxy-4-methylphenyl)ethylamino]carbamate
CID 107236760
tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
N-tert-butyl-2-chloro-2-(1,3-dimethylpyrazol-4-yl)acetamide
CID 83095047
tert-butyl N-[1-(2,4-dichlorophenyl)ethylamino]carbamate
CID 107237339
tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
CID 107236715
4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid
CID 124664887
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate?
The IUPAC name of tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate (CID 107236845) is tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate is Cc1nn(C)cc1C(C)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate?
The InChIKey is QPUNPZFLWDZWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(10-7-16(6)15-9(10)2)13-14-11(17)18-12(3,4)5/h7-8,13H,1-6H3,(H,14,17).
What are the key properties of tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate?
tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate has a molecular weight of 254.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate is sourced from PubChem (CID 107236845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).