ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate

C22H21N3O4 — CID 91634471

IUPACethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H21N3O4/c1-2-28-19(26)11-12-23-22(27)15-9-7-14(8-10-15)20-17-13-29-18-6-4-3-5-16(18)21(17)25-24-20/h3-10H,2,11-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyOPJSOJGGRLXSOF-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.32
Rot. Bonds6

About ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate

ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate (PubChem CID 91634471) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate
PubChem CID91634471
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Nameethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H21N3O4/c1-2-28-19(26)11-12-23-22(27)15-9-7-14(8-10-15)20-17-13-29-18-6-4-3-5-16(18)21(17)25-24-20/h3-10H,2,11-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyOPJSOJGGRLXSOF-UHFFFAOYSA-N
XLogP3.32
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
CID 18415999
methyl 1-[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]piperidine-4-carboxylate
CID 91634375
4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-(2-phenoxyethyl)benzamide
CID 46092004
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate
CID 18415841
N-(2,5-dichloropentyl)-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415821
ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
CID 91714717
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 46981456
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]benzamide
CID 18415776
ethyl 3-[[4-[[(1S)-2-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]amino]benzoyl]amino]propanoate
CID 146250208
ethyl 3-[[4-[2-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]propyl]benzoyl]amino]propanoate
CID 146250382
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-(2-methylsulfanylethyl)benzamide
CID 46704846

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate?
The IUPAC name of ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate (CID 91634471) is ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate is CCOC(=O)CCNC(=O)c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1.
What is the InChIKey of ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate?
The InChIKey is OPJSOJGGRLXSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-2-28-19(26)11-12-23-22(27)15-9-7-14(8-10-15)20-17-13-29-18-6-4-3-5-16(18)21(17)25-24-20/h3-10H,2,11-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate?
ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate has a molecular weight of 391.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate is sourced from PubChem (CID 91634471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).