ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C19H25N3O4 — CID 56508535

IUPACethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCOCC2(C)C)C1
InChIInChI=1S/C19H25N3O4/c1-4-26-18(24)15-12-16(22(20-15)14-8-6-5-7-9-14)17(23)21-10-11-25-13-19(21,2)3/h5-9,16H,4,10-13H2,1-3H3
InChIKeyGICFNZSBROILIP-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.82
Rot. Bonds4

About ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate

ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 56508535) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID56508535
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCOCC2(C)C)C1
InChIInChI=1S/C19H25N3O4/c1-4-26-18(24)15-12-16(22(20-15)14-8-6-5-7-9-14)17(23)21-10-11-25-13-19(21,2)3/h5-9,16H,4,10-13H2,1-3H3
InChIKeyGICFNZSBROILIP-UHFFFAOYSA-N
XLogP1.82
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56521876
ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate
CID 56508532
methyl 1-(5-ethoxycarbonyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 56556561
ethyl 3-(3-acetyloxypiperidine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 75387915
ethyl 3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56573441
ethyl 3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508018
5-O-ethyl 3-O-[(5-phenyl-1,3-oxazol-2-yl)methyl] 2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate
CID 56507158
(3S)-2-(3-chlorophenyl)-5-ethoxycarbonyl-3,4-dihydropyrazole-3-carboxylic acid
CID 95657417
ethyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508277
ethyl (3R)-3-[(1-cyanocyclobutyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95151583
ethyl (3R)-2-phenyl-3-(1H-pyrazol-5-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 95302285
ethyl 3-(3-anilinopropylcarbamoyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56586356

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 56508535) is ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCOCC2(C)C)C1.
What is the InChIKey of ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is GICFNZSBROILIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-26-18(24)15-12-16(22(20-15)14-8-6-5-7-9-14)17(23)21-10-11-25-13-19(21,2)3/h5-9,16H,4,10-13H2,1-3H3.
What are the key properties of ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 56508535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).