methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate

C16H19N3O3 — CID 110681637

IUPACmethyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)n2)c1
InChIInChI=1S/C16H19N3O3/c1-10(2)19-11(3)8-14(18-19)15(20)17-13-7-5-6-12(9-13)16(21)22-4/h5-10H,1-4H3,(H,17,20)
InChIKeyQMOOSCUWMZXMHW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.81
Rot. Bonds4

About methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate

methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 110681637) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate
PubChem CID110681637
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)n2)c1
InChIInChI=1S/C16H19N3O3/c1-10(2)19-11(3)8-14(18-19)15(20)17-13-7-5-6-12(9-13)16(21)22-4/h5-10H,1-4H3,(H,17,20)
InChIKeyQMOOSCUWMZXMHW-UHFFFAOYSA-N
XLogP2.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
CID 53194377
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
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methyl 3-(pyrazine-2-carbonylamino)benzoate
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CID 109181726
methyl 3-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110694272
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
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methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate (CID 110681637) is methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)n2)c1.
What is the InChIKey of methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is QMOOSCUWMZXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(2)19-11(3)8-14(18-19)15(20)17-13-7-5-6-12(9-13)16(21)22-4/h5-10H,1-4H3,(H,17,20).
What are the key properties of methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate?
methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 301.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110681637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).