3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide

C21H28N4O5 — CID 19338842

IUPAC3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(CC)c2C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C21H28N4O5/c1-4-25-19(21(27)24-9-11-28-12-10-24)16(14-22-25)23-20(26)15-7-8-17(29-5-2)18(13-15)30-6-3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,26)
InChIKeyKEJFWEMCSPLSGR-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.43
Rot. Bonds8

About 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide

3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide (PubChem CID 19338842) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
PubChem CID19338842
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC Name3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(CC)c2C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C21H28N4O5/c1-4-25-19(21(27)24-9-11-28-12-10-24)16(14-22-25)23-20(26)15-7-8-17(29-5-2)18(13-15)30-6-3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,26)
InChIKeyKEJFWEMCSPLSGR-UHFFFAOYSA-N
XLogP2.43
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiourea
CID 19445755
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19338889
3-[4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471371
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19584614
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275786
4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19338922
3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509579
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338974

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide (CID 19338842) is 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide is CCOc1ccc(C(=O)Nc2cnn(CC)c2C(=O)N2CCOCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide?
The InChIKey is KEJFWEMCSPLSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-4-25-19(21(27)24-9-11-28-12-10-24)16(14-22-25)23-20(26)15-7-8-17(29-5-2)18(13-15)30-6-3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,26).
What are the key properties of 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide?
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19338842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).