2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone

C17H22N4O2 — CID 56820908

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1[nH]ncc1CNC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-13-15(12-19-20-13)11-18-16(14-5-3-2-4-6-14)17(22)21-7-9-23-10-8-21/h2-6,12,16,18H,7-11H2,1H3,(H,19,20)
InChIKeyAKTIYUJWLCSOBP-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.41
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 56820908) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
PubChem CID56820908
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1[nH]ncc1CNC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-13-15(12-19-20-13)11-18-16(14-5-3-2-4-6-14)17(22)21-7-9-23-10-8-21/h2-6,12,16,18H,7-11H2,1H3,(H,19,20)
InChIKeyAKTIYUJWLCSOBP-UHFFFAOYSA-N
XLogP1.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone (CID 56820908) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone is Cc1[nH]ncc1CNC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is AKTIYUJWLCSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-15(12-19-20-13)11-18-16(14-5-3-2-4-6-14)17(22)21-7-9-23-10-8-21/h2-6,12,16,18H,7-11H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 314.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 56820908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).