methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate

C20H19N3O4 — CID 85470504

IUPACmethyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C20H19N3O4/c1-26-18-9-14(6-7-17(18)16-11-22-23-12-16)19(24)21-10-13-4-3-5-15(8-13)20(25)27-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOMQBPULZTUQWCQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.80
Rot. Bonds6

About methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate

methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate (PubChem CID 85470504) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate
PubChem CID85470504
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C20H19N3O4/c1-26-18-9-14(6-7-17(18)16-11-22-23-12-16)19(24)21-10-13-4-3-5-15(8-13)20(25)27-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOMQBPULZTUQWCQ-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

Analyze methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85469696
3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354217
N-[(1S)-2-amino-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90385099
3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662989
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118662999
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663021
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162670833
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 76070677
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85470447
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 90354057
3-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354129
2-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354143

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate (CID 85470504) is methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate is COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1.
What is the InChIKey of methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate?
The InChIKey is OMQBPULZTUQWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-18-9-14(6-7-17(18)16-11-22-23-12-16)19(24)21-10-13-4-3-5-15(8-13)20(25)27-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate?
methyl 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]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 3-[[[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 85470504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).