methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate

C20H19N3O4 — CID 17415360

IUPACmethyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cn[nH]c2-c2ccccc2)ccc1OC
InChIInChI=1S/C20H19N3O4/c1-26-17-9-8-13(10-15(17)20(25)27-2)11-21-19(24)16-12-22-23-18(16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOQFMAFPSVHRTNE-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.80
Rot. Bonds6

About methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate

methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate (PubChem CID 17415360) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
PubChem CID17415360
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cn[nH]c2-c2ccccc2)ccc1OC
InChIInChI=1S/C20H19N3O4/c1-26-17-9-8-13(10-15(17)20(25)27-2)11-21-19(24)16-12-22-23-18(16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOQFMAFPSVHRTNE-UHFFFAOYSA-N
XLogP2.80
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
N-[(3,4-dimethoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824137
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
methyl 5-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 86930860
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate (CID 17415360) is methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate is COC(=O)c1cc(CNC(=O)c2cn[nH]c2-c2ccccc2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate?
The InChIKey is OQFMAFPSVHRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-17-9-8-13(10-15(17)20(25)27-2)11-21-19(24)16-12-22-23-18(16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate?
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate has a molecular weight of 365.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 17415360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).