methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate

C23H25N3O4 — CID 55837549

IUPACmethyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C23H25N3O4/c1-25(13-12-21(27)30-3)23(28)20-16-26(15-17-8-5-4-6-9-17)24-22(20)18-10-7-11-19(14-18)29-2/h4-11,14,16H,12-13,15H2,1-3H3
InChIKeyWCHFWOUKKJTDKY-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.24
Rot. Bonds8

About methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate

methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate (PubChem CID 55837549) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
PubChem CID55837549
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namemethyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C23H25N3O4/c1-25(13-12-21(27)30-3)23(28)20-16-26(15-17-8-5-4-6-9-17)24-22(20)18-10-7-11-19(14-18)29-2/h4-11,14,16H,12-13,15H2,1-3H3
InChIKeyWCHFWOUKKJTDKY-UHFFFAOYSA-N
XLogP3.24
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate with MolForge

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Related Compounds

1-benzyl-3-(3-methoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 112796000
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913
1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 55382205
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 42916251
1-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 120653115
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 43016854
(4-aminopiperidin-1-yl)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119374601
methyl 4-[2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 55512860
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 112772180

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate (CID 55837549) is methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1.
What is the InChIKey of methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate?
The InChIKey is WCHFWOUKKJTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-25(13-12-21(27)30-3)23(28)20-16-26(15-17-8-5-4-6-9-17)24-22(20)18-10-7-11-19(14-18)29-2/h4-11,14,16H,12-13,15H2,1-3H3.
What are the key properties of methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate?
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate has a molecular weight of 407.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate is sourced from PubChem (CID 55837549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).