4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid

C19H23N3O4 — CID 119239693

IUPAC4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)N3CCOC(C(=O)O)C3)c2C(C)C)cc1
InChIInChI=1S/C19H23N3O4/c1-12(2)17-15(10-20-22(17)14-6-4-13(3)5-7-14)18(23)21-8-9-26-16(11-21)19(24)25/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,24,25)
InChIKeySPIKOXXRNODAEL-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.23
Rot. Bonds4

About 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid

4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 119239693) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID119239693
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)N3CCOC(C(=O)O)C3)c2C(C)C)cc1
InChIInChI=1S/C19H23N3O4/c1-12(2)17-15(10-20-22(17)14-6-4-13(3)5-7-14)18(23)21-8-9-26-16(11-21)19(24)25/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,24,25)
InChIKeySPIKOXXRNODAEL-UHFFFAOYSA-N
XLogP2.23
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526129
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
4-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239800
(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99638797
(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 47736836
4-[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119238830
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 120746297
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 129415319
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307
N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119479456
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid (CID 119239693) is 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid is Cc1ccc(-n2ncc(C(=O)N3CCOC(C(=O)O)C3)c2C(C)C)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is SPIKOXXRNODAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(2)17-15(10-20-22(17)14-6-4-13(3)5-7-14)18(23)21-8-9-26-16(11-21)19(24)25/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,24,25).
What are the key properties of 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid?
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).