(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide

C16H20N4O2 — CID 94031304

IUPAC(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C16H20N4O2/c1-13-12-19(9-10-22-13)16(21)17-11-14-3-5-15(6-4-14)20-8-2-7-18-20/h2-8,13H,9-12H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyATUODKHJPAYEDJ-CYBMUJFWSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds3

About (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide

(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide (PubChem CID 94031304) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide
PubChem CID94031304
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C16H20N4O2/c1-13-12-19(9-10-22-13)16(21)17-11-14-3-5-15(6-4-14)20-8-2-7-18-20/h2-8,13H,9-12H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyATUODKHJPAYEDJ-CYBMUJFWSA-N
XLogP1.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158455
(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158456
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
CID 94030864
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111863797
N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 47253703
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 119064727
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
CID 86780207
3-hydroxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 110895552
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide (CID 94031304) is (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCc2ccc(-n3cccn3)cc2)CCO1.
What is the InChIKey of (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is ATUODKHJPAYEDJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-13-12-19(9-10-22-13)16(21)17-11-14-3-5-15(6-4-14)20-8-2-7-18-20/h2-8,13H,9-12H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide?
(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 94031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).