3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide

C19H19N3O3 — CID 85470447

IUPAC3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C19H19N3O3/c1-24-16-5-3-4-13(8-16)10-20-19(23)14-6-7-17(18(9-14)25-2)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRBUCEYWKPHIQNJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.02
Rot. Bonds6

About 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide

3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 85470447) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID85470447
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C19H19N3O3/c1-24-16-5-3-4-13(8-16)10-20-19(23)14-6-7-17(18(9-14)25-2)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRBUCEYWKPHIQNJ-UHFFFAOYSA-N
XLogP3.02
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide (CID 85470447) is 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide is COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is RBUCEYWKPHIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-5-3-4-13(8-16)10-20-19(23)14-6-7-17(18(9-14)25-2)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 85470447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).