tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate

C14H24N4O3 — CID 90879816

IUPACtert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(19)16-12-10-15-18(11-12)5-4-17-6-8-20-9-7-17/h10-11H,4-9H2,1-3H3,(H,16,19)
InChIKeyLOGHCJJISWYPIY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.56
Rot. Bonds4

About tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate

tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate (PubChem CID 90879816) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
PubChem CID90879816
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(19)16-12-10-15-18(11-12)5-4-17-6-8-20-9-7-17/h10-11H,4-9H2,1-3H3,(H,16,19)
InChIKeyLOGHCJJISWYPIY-UHFFFAOYSA-N
XLogP1.56
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate (CID 90879816) is tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cnn(CCN2CCOCC2)c1.
What is the InChIKey of tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
The InChIKey is LOGHCJJISWYPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)21-13(19)16-12-10-15-18(11-12)5-4-17-6-8-20-9-7-17/h10-11H,4-9H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 90879816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).