tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate

C13H24N4O3 — CID 115735732

IUPACtert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
SMILESCOCCn1cc(NCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H24N4O3/c1-13(2,3)20-12(18)15-6-5-14-11-9-16-17(10-11)7-8-19-4/h9-10,14H,5-8H2,1-4H3,(H,15,18)
InChIKeyZAMJBJOBTMMZLE-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds7

About tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate (PubChem CID 115735732) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
PubChem CID115735732
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Nametert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
SMILESCOCCn1cc(NCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H24N4O3/c1-13(2,3)20-12(18)15-6-5-14-11-9-16-17(10-11)7-8-19-4/h9-10,14H,5-8H2,1-4H3,(H,15,18)
InChIKeyZAMJBJOBTMMZLE-UHFFFAOYSA-N
XLogP1.47
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
tert-butyl N-[2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
CID 104933125
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
CID 154687839
CID 154687839
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-4-carboxylic acid
CID 162677574
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
tert-butyl N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107241305
3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 76921677
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate (CID 115735732) is tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate is COCCn1cc(NCCNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate?
The InChIKey is ZAMJBJOBTMMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-13(2,3)20-12(18)15-6-5-14-11-9-16-17(10-11)7-8-19-4/h9-10,14H,5-8H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 115735732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).