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

C15H26N4O3 — CID 91117945

IUPACtert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(20)17(4)13-11-16-19(12-13)6-5-18-7-9-21-10-8-18/h11-12H,5-10H2,1-4H3
InChIKeyPURZFFCPQLDVFC-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.59
Rot. Bonds4

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

tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate (PubChem CID 91117945) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
PubChem CID91117945
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(20)17(4)13-11-16-19(12-13)6-5-18-7-9-21-10-8-18/h11-12H,5-10H2,1-4H3
InChIKeyPURZFFCPQLDVFC-UHFFFAOYSA-N
XLogP1.59
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate (CID 91117945) is tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate is CN(C(=O)OC(C)(C)C)c1cnn(CCN2CCOCC2)c1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
The InChIKey is PURZFFCPQLDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)22-14(20)17(4)13-11-16-19(12-13)6-5-18-7-9-21-10-8-18/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate?
tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 91117945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).