4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide

C21H21N3O3 — CID 86930592

IUPAC4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H21N3O3/c25-21(23-17-6-8-18(9-7-17)24-13-2-12-22-24)16-4-10-19(11-5-16)27-15-20-3-1-14-26-20/h2,4-13,20H,1,3,14-15H2,(H,23,25)
InChIKeyNQGXJCMJYPPZEM-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.68
Rot. Bonds6

About 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide

4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide (PubChem CID 86930592) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
PubChem CID86930592
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H21N3O3/c25-21(23-17-6-8-18(9-7-17)24-13-2-12-22-24)16-4-10-19(11-5-16)27-15-20-3-1-14-26-20/h2,4-13,20H,1,3,14-15H2,(H,23,25)
InChIKeyNQGXJCMJYPPZEM-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-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
CID 25333571
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 51535248
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 4957999
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide (CID 86930592) is 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide is O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide?
The InChIKey is NQGXJCMJYPPZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21(23-17-6-8-18(9-7-17)24-13-2-12-22-24)16-4-10-19(11-5-16)27-15-20-3-1-14-26-20/h2,4-13,20H,1,3,14-15H2,(H,23,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide?
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide 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 4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 86930592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).