ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate

C15H18N4O3 — CID 135222759

IUPACethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2cn[nH]c2C)cc1
InChIInChI=1S/C15H18N4O3/c1-3-22-14(20)11-4-6-13(7-5-11)18-15(21)16-8-12-9-17-19-10(12)2/h4-7,9H,3,8H2,1-2H3,(H,17,19)(H2,16,18,21)
InChIKeyIFHGCKXMWPOOOU-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.22
Rot. Bonds5

About ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate

ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate (PubChem CID 135222759) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate
PubChem CID135222759
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2cn[nH]c2C)cc1
InChIInChI=1S/C15H18N4O3/c1-3-22-14(20)11-4-6-13(7-5-11)18-15(21)16-8-12-9-17-19-10(12)2/h4-7,9H,3,8H2,1-2H3,(H,17,19)(H2,16,18,21)
InChIKeyIFHGCKXMWPOOOU-UHFFFAOYSA-N
XLogP2.22
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]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 ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate (CID 135222759) is ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCc2cn[nH]c2C)cc1.
What is the InChIKey of ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate?
The InChIKey is IFHGCKXMWPOOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-22-14(20)11-4-6-13(7-5-11)18-15(21)16-8-12-9-17-19-10(12)2/h4-7,9H,3,8H2,1-2H3,(H,17,19)(H2,16,18,21).
What are the key properties of ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate?
ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate has a molecular weight of 302.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoate is sourced from PubChem (CID 135222759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).