methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate

C16H18N4O4 — CID 75370267

IUPACmethyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate
SMILESCCNC(=O)Cn1ccc(NC(=O)c2cccc(C(=O)OC)c2)n1
InChIInChI=1S/C16H18N4O4/c1-3-17-14(21)10-20-8-7-13(19-20)18-15(22)11-5-4-6-12(9-11)16(23)24-2/h4-9H,3,10H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyASEMLNULNOZGHF-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.06
Rot. Bonds6

About methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate

methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate (PubChem CID 75370267) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate
PubChem CID75370267
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate
SMILESCCNC(=O)Cn1ccc(NC(=O)c2cccc(C(=O)OC)c2)n1
InChIInChI=1S/C16H18N4O4/c1-3-17-14(21)10-20-8-7-13(19-20)18-15(22)11-5-4-6-12(9-11)16(23)24-2/h4-9H,3,10H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyASEMLNULNOZGHF-UHFFFAOYSA-N
XLogP1.06
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate (CID 75370267) is methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate is CCNC(=O)Cn1ccc(NC(=O)c2cccc(C(=O)OC)c2)n1.
What is the InChIKey of methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate?
The InChIKey is ASEMLNULNOZGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-3-17-14(21)10-20-8-7-13(19-20)18-15(22)11-5-4-6-12(9-11)16(23)24-2/h4-9H,3,10H2,1-2H3,(H,17,21)(H,18,19,22).
What are the key properties of methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate?
methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate has a molecular weight of 330.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 75370267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).