N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide

C11H18N4O3 — CID 114255728

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCOc1cc(CNC(=O)N2CCOCC2)nn1C
InChIInChI=1S/C11H18N4O3/c1-14-10(17-2)7-9(13-14)8-12-11(16)15-3-5-18-6-4-15/h7H,3-6,8H2,1-2H3,(H,12,16)
InChIKeyNEXLKTFWXVFRDJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.03
Rot. Bonds3

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 114255728) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID114255728
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCOc1cc(CNC(=O)N2CCOCC2)nn1C
InChIInChI=1S/C11H18N4O3/c1-14-10(17-2)7-9(13-14)8-12-11(16)15-3-5-18-6-4-15/h7H,3-6,8H2,1-2H3,(H,12,16)
InChIKeyNEXLKTFWXVFRDJ-UHFFFAOYSA-N
XLogP-0.03
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide (CID 114255728) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide is COc1cc(CNC(=O)N2CCOCC2)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is NEXLKTFWXVFRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14-10(17-2)7-9(13-14)8-12-11(16)15-3-5-18-6-4-15/h7H,3-6,8H2,1-2H3,(H,12,16).
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 114255728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).