N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

C20H27N5O3 — CID 110279329

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccc(C2C(C(=O)Nc3cnn(CCN(C)C)c3)OCC(=O)N2C)cc1
InChIInChI=1S/C20H27N5O3/c1-14-5-7-15(8-6-14)18-19(28-13-17(26)24(18)4)20(27)22-16-11-21-25(12-16)10-9-23(2)3/h5-8,11-12,18-19H,9-10,13H2,1-4H3,(H,22,27)
InChIKeyGMEQVRHVVPTPRA-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.29
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 110279329) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID110279329
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccc(C2C(C(=O)Nc3cnn(CCN(C)C)c3)OCC(=O)N2C)cc1
InChIInChI=1S/C20H27N5O3/c1-14-5-7-15(8-6-14)18-19(28-13-17(26)24(18)4)20(27)22-16-11-21-25(12-16)10-9-23(2)3/h5-8,11-12,18-19H,9-10,13H2,1-4H3,(H,22,27)
InChIKeyGMEQVRHVVPTPRA-UHFFFAOYSA-N
XLogP1.29
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 91945356
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3S)-N-butyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457343
(2S,3S)-N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457578
4-methyl-3-(4-methylphenyl)-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 75538206
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457326
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442
(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide
CID 97457385
N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 110280766
(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739760

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 110279329) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1ccc(C2C(C(=O)Nc3cnn(CCN(C)C)c3)OCC(=O)N2C)cc1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is GMEQVRHVVPTPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-5-7-15(8-6-14)18-19(28-13-17(26)24(18)4)20(27)22-16-11-21-25(12-16)10-9-23(2)3/h5-8,11-12,18-19H,9-10,13H2,1-4H3,(H,22,27).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 110279329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).