N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide

C16H20N4O2 — CID 119788702

IUPACN-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H20N4O2/c1-12(19-16(21)15-11-22-9-7-17-15)13-4-2-5-14(10-13)20-8-3-6-18-20/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21)
InChIKeyJNBNBDQXEHXFSL-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.04
Rot. Bonds4

About N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide

N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide (PubChem CID 119788702) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
PubChem CID119788702
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H20N4O2/c1-12(19-16(21)15-11-22-9-7-17-15)13-4-2-5-14(10-13)20-8-3-6-18-20/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21)
InChIKeyJNBNBDQXEHXFSL-UHFFFAOYSA-N
XLogP1.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide (CID 119788702) is N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide is CC(NC(=O)C1COCCN1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The InChIKey is JNBNBDQXEHXFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(19-16(21)15-11-22-9-7-17-15)13-4-2-5-14(10-13)20-8-3-6-18-20/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119788702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).