N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide

C21H21N3O3 — CID 131895389

IUPACN-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H21N3O3/c25-21(16-6-3-7-17(14-16)24-12-5-11-22-24)23-19-9-1-2-10-20(19)27-15-18-8-4-13-26-18/h1-3,5-7,9-12,14,18H,4,8,13,15H2,(H,23,25)
InChIKeyLFSIKDVVBAHICG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide

N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide (PubChem CID 131895389) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
PubChem CID131895389
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H21N3O3/c25-21(16-6-3-7-17(14-16)24-12-5-11-22-24)23-19-9-1-2-10-20(19)27-15-18-8-4-13-26-18/h1-3,5-7,9-12,14,18H,4,8,13,15H2,(H,23,25)
InChIKeyLFSIKDVVBAHICG-UHFFFAOYSA-N
XLogP3.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131903658
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131932451
3-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17170320
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide
CID 166285191
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide
CID 166194099

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide (CID 131895389) is N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide is O=C(Nc1ccccc1OCC1CCCO1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is LFSIKDVVBAHICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21(16-6-3-7-17(14-16)24-12-5-11-22-24)23-19-9-1-2-10-20(19)27-15-18-8-4-13-26-18/h1-3,5-7,9-12,14,18H,4,8,13,15H2,(H,23,25).
What are the key properties of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide?
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 131895389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).