ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate

C15H16ClN3O3 — CID 646776

IUPACethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C15H16ClN3O3/c1-3-22-12(20)9-17-15(21)13-10(2)18-19(14(13)16)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,21)
InChIKeyHNPDRRLXOJUUSF-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate (PubChem CID 646776) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate
PubChem CID646776
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Nameethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C15H16ClN3O3/c1-3-22-12(20)9-17-15(21)13-10(2)18-19(14(13)16)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,21)
InChIKeyHNPDRRLXOJUUSF-UHFFFAOYSA-N
XLogP2.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate 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 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate (CID 646776) is ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is HNPDRRLXOJUUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-3-22-12(20)9-17-15(21)13-10(2)18-19(14(13)16)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,21).
What are the key properties of ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 321.76 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 646776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).