1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid

C19H17N3O4S — CID 124701077

IUPAC1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)n(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O4S/c23-18(21-8-9-26-16(12-21)17-7-4-10-27-17)15-11-14(19(24)25)20-22(15)13-5-2-1-3-6-13/h1-7,10-11,16H,8-9,12H2,(H,24,25)/t16-/m1/s1
InChIKeyWHDQKEDZAYWWKZ-MRXNPFEDSA-N
MW383.43 g/mol
LogP2.85
Rot. Bonds4

About 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid

1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid (PubChem CID 124701077) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
PubChem CID124701077
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)n(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O4S/c23-18(21-8-9-26-16(12-21)17-7-4-10-27-17)15-11-14(19(24)25)20-22(15)13-5-2-1-3-6-13/h1-7,10-11,16H,8-9,12H2,(H,24,25)/t16-/m1/s1
InChIKeyWHDQKEDZAYWWKZ-MRXNPFEDSA-N
XLogP2.85
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687
4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363497
5-(4-methylidenepiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 167976779
5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 119181333
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 120822318
5-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 119183904
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
CID 119129371
5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152722
5-[(3R)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152721

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid (CID 124701077) is 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid is O=C(O)c1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid?
The InChIKey is WHDQKEDZAYWWKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-18(21-8-9-26-16(12-21)17-7-4-10-27-17)15-11-14(19(24)25)20-22(15)13-5-2-1-3-6-13/h1-7,10-11,16H,8-9,12H2,(H,24,25)/t16-/m1/s1.
What are the key properties of 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid?
1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid has a molecular weight of 383.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 124701077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).