N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

C17H21ClN4O2 — CID 71969637

IUPACN-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)NCc3cccc(Cl)c3)CCO2)cn1
InChIInChI=1S/C17H21ClN4O2/c1-17(14-10-20-21(2)11-14)12-22(6-7-24-17)16(23)19-9-13-4-3-5-15(18)8-13/h3-5,8,10-11H,6-7,9,12H2,1-2H3,(H,19,23)
InChIKeyQUUFNCHAHRKILO-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.53
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 71969637) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID71969637
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)NCc3cccc(Cl)c3)CCO2)cn1
InChIInChI=1S/C17H21ClN4O2/c1-17(14-10-20-21(2)11-14)12-22(6-7-24-17)16(23)19-9-13-4-3-5-15(18)8-13/h3-5,8,10-11H,6-7,9,12H2,1-2H3,(H,19,23)
InChIKeyQUUFNCHAHRKILO-UHFFFAOYSA-N
XLogP2.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 97074651
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 136514945
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
CID 97090709
(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 97099387
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]benzoic acid
CID 120552183
N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969911
(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 125000351
N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71924052
1-[(3-chlorophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147580
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365129
2-[1-[(3-chlorophenyl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658865
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (CID 71969637) is N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is Cn1cc(C2(C)CN(C(=O)NCc3cccc(Cl)c3)CCO2)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is QUUFNCHAHRKILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-17(14-10-20-21(2)11-14)12-22(6-7-24-17)16(23)19-9-13-4-3-5-15(18)8-13/h3-5,8,10-11H,6-7,9,12H2,1-2H3,(H,19,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 71969637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).