methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate

C15H16ClN3O3 — CID 3812360

IUPACmethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3O3/c1-9-11(13(16)19(2)18-9)14(20)17-12(15(21)22-3)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,17,20)
InChIKeyHIWYATPHCFBDQB-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.03
Rot. Bonds4

About methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate

methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate (PubChem CID 3812360) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate
PubChem CID3812360
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Namemethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3O3/c1-9-11(13(16)19(2)18-9)14(20)17-12(15(21)22-3)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,17,20)
InChIKeyHIWYATPHCFBDQB-UHFFFAOYSA-N
XLogP2.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate (CID 3812360) is methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1c(C)nn(C)c1Cl)c1ccccc1.
What is the InChIKey of methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate?
The InChIKey is HIWYATPHCFBDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9-11(13(16)19(2)18-9)14(20)17-12(15(21)22-3)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,17,20).
What are the key properties of methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate?
methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate has a molecular weight of 321.76 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 3812360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).