2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide

C22H24N4O2 — CID 47746600

IUPAC2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(Cn3cccn3)c2)CC(c2ccccc2)O1
InChIInChI=1S/C22H24N4O2/c1-17-14-25(16-21(28-17)19-8-3-2-4-9-19)22(27)24-20-10-5-7-18(13-20)15-26-12-6-11-23-26/h2-13,17,21H,14-16H2,1H3,(H,24,27)
InChIKeyFYQZMEQTYYZLEP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.93
Rot. Bonds4

About 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide

2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide (PubChem CID 47746600) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
PubChem CID47746600
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(Cn3cccn3)c2)CC(c2ccccc2)O1
InChIInChI=1S/C22H24N4O2/c1-17-14-25(16-21(28-17)19-8-3-2-4-9-19)22(27)24-20-10-5-7-18(13-20)15-26-12-6-11-23-26/h2-13,17,21H,14-16H2,1H3,(H,24,27)
InChIKeyFYQZMEQTYYZLEP-UHFFFAOYSA-N
XLogP3.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35763249
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35763250
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124885588
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
(1R,4S)-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 94653102
(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 94153158

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide (CID 47746600) is 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(Cn3cccn3)c2)CC(c2ccccc2)O1.
What is the InChIKey of 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is FYQZMEQTYYZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-14-25(16-21(28-17)19-8-3-2-4-9-19)22(27)24-20-10-5-7-18(13-20)15-26-12-6-11-23-26/h2-13,17,21H,14-16H2,1H3,(H,24,27).
What are the key properties of 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide?
2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 47746600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).