tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate

C11H20N4O2 — CID 84728085

IUPACtert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)n1cc(N)cn1
InChIInChI=1S/C11H20N4O2/c1-8(15-7-9(12)6-14-15)5-13-10(16)17-11(2,3)4/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeyCGPFQMWEKVQRDE-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.55
Rot. Bonds3

About tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate

tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate (PubChem CID 84728085) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate
PubChem CID84728085
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)n1cc(N)cn1
InChIInChI=1S/C11H20N4O2/c1-8(15-7-9(12)6-14-15)5-13-10(16)17-11(2,3)4/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeyCGPFQMWEKVQRDE-UHFFFAOYSA-N
XLogP1.55
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811
tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86597875
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[(2R)-2-(3-chloropyrrol-1-yl)propyl]carbamate
CID 175182745
methyl 3-bromo-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrazole-5-carboxylate
CID 170120050
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-(2-imidazol-1-ylpropyl)carbamate
CID 151187469
(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90813928
tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
CID 170831773
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate (CID 84728085) is tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)n1cc(N)cn1.
What is the InChIKey of tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate?
The InChIKey is CGPFQMWEKVQRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(15-7-9(12)6-14-15)5-13-10(16)17-11(2,3)4/h6-8H,5,12H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate?
tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate has a molecular weight of 240.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate is sourced from PubChem (CID 84728085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).