N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide

C22H23N3O2 — CID 70725146

IUPACN-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H23N3O2/c26-21(18-6-4-9-20(16-18)25-13-5-12-24-25)23-17-22(10-14-27-15-11-22)19-7-2-1-3-8-19/h1-9,12-13,16H,10-11,14-15,17H2,(H,23,26)
InChIKeyQWGQMYGZPWCBPE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.35
Rot. Bonds5

About N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide

N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 70725146) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
PubChem CID70725146
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H23N3O2/c26-21(18-6-4-9-20(16-18)25-13-5-12-24-25)23-17-22(10-14-27-15-11-22)19-7-2-1-3-8-19/h1-9,12-13,16H,10-11,14-15,17H2,(H,23,26)
InChIKeyQWGQMYGZPWCBPE-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-phenylpyrazole-3-carboxamide
CID 52690055
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317766
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100587049
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide (CID 70725146) is N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is QWGQMYGZPWCBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(18-6-4-9-20(16-18)25-13-5-12-24-25)23-17-22(10-14-27-15-11-22)19-7-2-1-3-8-19/h1-9,12-13,16H,10-11,14-15,17H2,(H,23,26).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 70725146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).