(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid

C18H22N4O4 — CID 130429737

IUPAC(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CN(C(=O)O)CCO3)cc2)c1C
InChIInChI=1S/C18H22N4O4/c1-3-14-11(2)16(21-20-14)17(23)19-13-6-4-12(5-7-13)15-10-22(18(24)25)8-9-26-15/h4-7,15H,3,8-10H2,1-2H3,(H,19,23)(H,20,21)(H,24,25)/t15-/m1/s1
InChIKeyXNZQFYROQRNOHO-OAHLLOKOSA-N
MW358.40 g/mol
LogP2.58
Rot. Bonds4

About (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid

(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid (PubChem CID 130429737) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
PubChem CID130429737
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CN(C(=O)O)CCO3)cc2)c1C
InChIInChI=1S/C18H22N4O4/c1-3-14-11(2)16(21-20-14)17(23)19-13-6-4-12(5-7-13)15-10-22(18(24)25)8-9-26-15/h4-7,15H,3,8-10H2,1-2H3,(H,19,23)(H,20,21)(H,24,25)/t15-/m1/s1
InChIKeyXNZQFYROQRNOHO-OAHLLOKOSA-N
XLogP2.58
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid with MolForge

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Related Compounds

2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 170722933
bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
CID 175814665
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 118903664
N-[(3S,7S,8aS)-3-(4-chlorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 155492381
2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901
2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 89262375
2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
CID 91591906
5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 164898264
4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 164898260
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid (CID 130429737) is (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid is CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CN(C(=O)O)CCO3)cc2)c1C.
What is the InChIKey of (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid?
The InChIKey is XNZQFYROQRNOHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-14-11(2)16(21-20-14)17(23)19-13-6-4-12(5-7-13)15-10-22(18(24)25)8-9-26-15/h4-7,15H,3,8-10H2,1-2H3,(H,19,23)(H,20,21)(H,24,25)/t15-/m1/s1.
What are the key properties of (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid?
(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 130429737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).