ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate

C14H16N4O3 — CID 135222907

IUPACethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C14H16N4O3/c1-2-21-13(19)11-3-5-12(6-4-11)18-14(20)15-7-10-8-16-17-9-10/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H2,15,18,20)
InChIKeyNEVXGUUUALFVOM-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.91
Rot. Bonds5

About ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate

ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate (PubChem CID 135222907) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate
PubChem CID135222907
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Nameethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C14H16N4O3/c1-2-21-13(19)11-3-5-12(6-4-11)18-14(20)15-7-10-8-16-17-9-10/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H2,15,18,20)
InChIKeyNEVXGUUUALFVOM-UHFFFAOYSA-N
XLogP1.91
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)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-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate?
The IUPAC name of ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate (CID 135222907) is ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate?
The InChIKey is NEVXGUUUALFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-21-13(19)11-3-5-12(6-4-11)18-14(20)15-7-10-8-16-17-9-10/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H2,15,18,20).
What are the key properties of ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate?
ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate has a molecular weight of 288.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzoate is sourced from PubChem (CID 135222907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).