methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid

C11H18N4O3 — CID 68596843

IUPACmethyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
SMILESCN(C(=O)O)c1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C11H18N4O3/c1-13(11(16)17)10-8-12-15(9-10)3-2-14-4-6-18-7-5-14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQAIJPLOZLCBIIH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.33
Rot. Bonds4

About methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid

methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid (PubChem CID 68596843) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
PubChem CID68596843
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
SMILESCN(C(=O)O)c1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C11H18N4O3/c1-13(11(16)17)10-8-12-15(9-10)3-2-14-4-6-18-7-5-14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQAIJPLOZLCBIIH-UHFFFAOYSA-N
XLogP0.33
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
The IUPAC name of methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid (CID 68596843) is methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid.
What is the SMILES notation for methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
The canonical SMILES for methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid is CN(C(=O)O)c1cnn(CCN2CCOCC2)c1.
What is the InChIKey of methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
The InChIKey is QAIJPLOZLCBIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13(11(16)17)10-8-12-15(9-10)3-2-14-4-6-18-7-5-14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid has a molecular weight of 254.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid is sourced from PubChem (CID 68596843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).