N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide

C27H34N4O4 — CID 66589693

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
SMILESCOc1cc(CCc2cc(NC(=O)c3ccc(CN(C)CC4CCCO4)cc3)n[nH]2)cc(OC)c1
InChIInChI=1S/C27H34N4O4/c1-31(18-23-5-4-12-35-23)17-19-6-9-21(10-7-19)27(32)28-26-15-22(29-30-26)11-8-20-13-24(33-2)16-25(14-20)34-3/h6-7,9-10,13-16,23H,4-5,8,11-12,17-18H2,1-3H3,(H2,28,29,30,32)
InChIKeyYRUSWYQIJJOVDF-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.08
Rot. Bonds11

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 66589693) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
PubChem CID66589693
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
SMILESCOc1cc(CCc2cc(NC(=O)c3ccc(CN(C)CC4CCCO4)cc3)n[nH]2)cc(OC)c1
InChIInChI=1S/C27H34N4O4/c1-31(18-23-5-4-12-35-23)17-19-6-9-21(10-7-19)27(32)28-26-15-22(29-30-26)11-8-20-13-24(33-2)16-25(14-20)34-3/h6-7,9-10,13-16,23H,4-5,8,11-12,17-18H2,1-3H3,(H2,28,29,30,32)
InChIKeyYRUSWYQIJJOVDF-UHFFFAOYSA-N
XLogP4.08
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide with MolForge

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Related Compounds

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 95121822
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-methyl-2-nitrobenzamide
CID 86972613
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 86972590
6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 66589912
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate
CID 95333409
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
4-[5-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]thiophen-2-yl]piperazine-1-carboxylic acid
CID 66589737
3-(3-acetylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 125164540

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide (CID 66589693) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide is COc1cc(CCc2cc(NC(=O)c3ccc(CN(C)CC4CCCO4)cc3)n[nH]2)cc(OC)c1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is YRUSWYQIJJOVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-31(18-23-5-4-12-35-23)17-19-6-9-21(10-7-19)27(32)28-26-15-22(29-30-26)11-8-20-13-24(33-2)16-25(14-20)34-3/h6-7,9-10,13-16,23H,4-5,8,11-12,17-18H2,1-3H3,(H2,28,29,30,32).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 478.59 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 66589693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).