tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate

C11H20N4O2 — CID 83384262

IUPACtert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1CCN
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-8-7-13-15(4)9(8)5-6-12/h7H,5-6,12H2,1-4H3,(H,14,16)
InChIKeyRMQUHXJBVDNEMS-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.27
Rot. Bonds3

About tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate

tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate (PubChem CID 83384262) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
PubChem CID83384262
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1CCN
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-8-7-13-15(4)9(8)5-6-12/h7H,5-6,12H2,1-4H3,(H,14,16)
InChIKeyRMQUHXJBVDNEMS-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
methyl (E)-4-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-5-yl]but-3-enoate
CID 134607430
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate
CID 115112487
tert-butyl N-[5-(aminomethyl)-2-fluorophenyl]carbamate
CID 84701954

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate (CID 83384262) is tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate is Cn1ncc(NC(=O)OC(C)(C)C)c1CCN.
What is the InChIKey of tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate?
The InChIKey is RMQUHXJBVDNEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-8-7-13-15(4)9(8)5-6-12/h7H,5-6,12H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate?
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate has a molecular weight of 240.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate is sourced from PubChem (CID 83384262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).