tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate

C16H26N4O2 — CID 107094759

IUPACtert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate
SMILESC=Cn1cc(CNC(CNC(=O)OC(C)(C)C)C2CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-5-20-11-12(9-19-20)8-17-14(13-6-7-13)10-18-15(21)22-16(2,3)4/h5,9,11,13-14,17H,1,6-8,10H2,2-4H3,(H,18,21)
InChIKeyFVYOEYVWHSELSR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.38
Rot. Bonds7

About tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate (PubChem CID 107094759) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate
PubChem CID107094759
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate
SMILESC=Cn1cc(CNC(CNC(=O)OC(C)(C)C)C2CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-5-20-11-12(9-19-20)8-17-14(13-6-7-13)10-18-15(21)22-16(2,3)4/h5,9,11,13-14,17H,1,6-8,10H2,2-4H3,(H,18,21)
InChIKeyFVYOEYVWHSELSR-UHFFFAOYSA-N
XLogP2.38
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107251850
tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 106834314
tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
CID 106834289
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]-2-cyclopropylethyl]carbamate
CID 107251723
tert-butyl N-cyclopropyl-N-[3-[(1-ethenylpyrazol-4-yl)methylamino]propyl]carbamate
CID 107094696
methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
CID 106936687
5-[[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]furan-2-carboxylic acid
CID 107251769
tert-butyl N-[2-cyclopropyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]carbamate
CID 107251824
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate
CID 107251827
tert-butyl 4-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107095221
tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
CID 103922943
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate (CID 107094759) is tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate is C=Cn1cc(CNC(CNC(=O)OC(C)(C)C)C2CC2)cn1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate?
The InChIKey is FVYOEYVWHSELSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-20-11-12(9-19-20)8-17-14(13-6-7-13)10-18-15(21)22-16(2,3)4/h5,9,11,13-14,17H,1,6-8,10H2,2-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 107094759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).