[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate

C16H17ClN4O4 — CID 16502091

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C16H17ClN4O4/c1-9-14(17)10(2)21(20-9)12-6-4-11(5-7-12)15(23)25-8-13(22)19-16(24)18-3/h4-7H,8H2,1-3H3,(H2,18,19,22,24)
InChIKeyBLASQLLRQHGFAP-UHFFFAOYSA-N
MW364.79 g/mol
LogP1.75
Rot. Bonds4

About [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate (PubChem CID 16502091) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
PubChem CID16502091
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C16H17ClN4O4/c1-9-14(17)10(2)21(20-9)12-6-4-11(5-7-12)15(23)25-8-13(22)19-16(24)18-3/h4-7H,8H2,1-3H3,(H2,18,19,22,24)
InChIKeyBLASQLLRQHGFAP-UHFFFAOYSA-N
XLogP1.75
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502089
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 18074468
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 55398511
[2-(N-methylanilino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502125
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 43026028
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2628770
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide
CID 26179891
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 40985878
[2-(methylcarbamoylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606617
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate (CID 16502091) is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate is CNC(=O)NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate?
The InChIKey is BLASQLLRQHGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-9-14(17)10(2)21(20-9)12-6-4-11(5-7-12)15(23)25-8-13(22)19-16(24)18-3/h4-7H,8H2,1-3H3,(H2,18,19,22,24).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate has a molecular weight of 364.79 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate is sourced from PubChem (CID 16502091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).