methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate

C14H15N3O3 — CID 63997003

IUPACmethyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn[nH]c2C)c(C)c1
InChIInChI=1S/C14H15N3O3/c1-8-6-10(14(19)20-3)4-5-12(8)16-13(18)11-7-15-17-9(11)2/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyGAOFJFQBOPZHHO-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.07
Rot. Bonds3

About methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate

methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate (PubChem CID 63997003) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
PubChem CID63997003
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn[nH]c2C)c(C)c1
InChIInChI=1S/C14H15N3O3/c1-8-6-10(14(19)20-3)4-5-12(8)16-13(18)11-7-15-17-9(11)2/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyGAOFJFQBOPZHHO-UHFFFAOYSA-N
XLogP2.07
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63998429
methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
CID 61260356
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63998435
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
CID 35249899
methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
CID 63859252
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
CID 43048612
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
methyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbenzoate
CID 46530264

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate (CID 63997003) is methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn[nH]c2C)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
The InChIKey is GAOFJFQBOPZHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-6-10(14(19)20-3)4-5-12(8)16-13(18)11-7-15-17-9(11)2/h4-7H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 63997003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).