4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

C26H31N3O3 — CID 127033831

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cn4nc(C)cc4C)cc3)CCOCC2)cc1
InChIInChI=1S/C26H31N3O3/c1-19-16-20(2)29(28-19)17-21-4-6-22(7-5-21)25(30)27-18-26(12-14-32-15-13-26)23-8-10-24(31-3)11-9-23/h4-11,16H,12-15,17-18H2,1-3H3,(H,27,30)
InChIKeyAUEYEBDQROSCTM-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.04
Rot. Bonds7

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 127033831) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID127033831
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cn4nc(C)cc4C)cc3)CCOCC2)cc1
InChIInChI=1S/C26H31N3O3/c1-19-16-20(2)29(28-19)17-21-4-6-22(7-5-21)25(30)27-18-26(12-14-32-15-13-26)23-8-10-24(31-3)11-9-23/h4-11,16H,12-15,17-18H2,1-3H3,(H,27,30)
InChIKeyAUEYEBDQROSCTM-UHFFFAOYSA-N
XLogP4.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100587049
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 131892543
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-methylindole-5-carboxamide
CID 71753531
3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 71707663
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 48981634
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46971842
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 127033831) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3ccc(Cn4nc(C)cc4C)cc3)CCOCC2)cc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is AUEYEBDQROSCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19-16-20(2)29(28-19)17-21-4-6-22(7-5-21)25(30)27-18-26(12-14-32-15-13-26)23-8-10-24(31-3)11-9-23/h4-11,16H,12-15,17-18H2,1-3H3,(H,27,30).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 433.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 127033831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).