methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate

C16H19N3O4 — CID 71707447

IUPACmethyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(-c2ccc(OC)cc2)nn1C
InChIInChI=1S/C16H19N3O4/c1-19-14(16(21)17-9-8-15(20)23-3)10-13(18-19)11-4-6-12(22-2)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyMPEBSDRZJKOGHJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.39
Rot. Bonds6

About methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate

methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate (PubChem CID 71707447) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate
PubChem CID71707447
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Namemethyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(-c2ccc(OC)cc2)nn1C
InChIInChI=1S/C16H19N3O4/c1-19-14(16(21)17-9-8-15(20)23-3)10-13(18-19)11-4-6-12(22-2)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyMPEBSDRZJKOGHJ-UHFFFAOYSA-N
XLogP1.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate (CID 71707447) is methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1cc(-c2ccc(OC)cc2)nn1C.
What is the InChIKey of methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate?
The InChIKey is MPEBSDRZJKOGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-19-14(16(21)17-9-8-15(20)23-3)10-13(18-19)11-4-6-12(22-2)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,21).
What are the key properties of methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate?
methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate has a molecular weight of 317.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 71707447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).