N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide

C23H19N3O2 — CID 166323321

IUPACN-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccccc1-n1cccn1
InChIInChI=1S/C23H19N3O2/c27-23(21-12-4-5-13-22(21)26-15-7-14-25-26)24-17-18-8-6-11-20(16-18)28-19-9-2-1-3-10-19/h1-16H,17H2,(H,24,27)
InChIKeyNJRKLPKGIBKQFU-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.59
Rot. Bonds6

About N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide

N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide (PubChem CID 166323321) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
PubChem CID166323321
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccccc1-n1cccn1
InChIInChI=1S/C23H19N3O2/c27-23(21-12-4-5-13-22(21)26-15-7-14-25-26)24-17-18-8-6-11-20(16-18)28-19-9-2-1-3-10-19/h1-16H,17H2,(H,24,27)
InChIKeyNJRKLPKGIBKQFU-UHFFFAOYSA-N
XLogP4.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
CID 87002296
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
CID 78888408
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
3-[[[2-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]benzoic acid
CID 75445007
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
CID 110121771
N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide (CID 166323321) is N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide is O=C(NCc1cccc(Oc2ccccc2)c1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is NJRKLPKGIBKQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(21-12-4-5-13-22(21)26-15-7-14-25-26)24-17-18-8-6-11-20(16-18)28-19-9-2-1-3-10-19/h1-16H,17H2,(H,24,27).
What are the key properties of N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide?
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 166323321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).