3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

C24H28N4O3 — CID 66889752

IUPAC3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)COc1ccc(-c2cc(-c3cccc(C(=O)NC(C)C)c3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O3/c1-15(2)25-23(29)14-31-20-10-8-17(9-11-20)21-13-22(28-27-21)18-6-5-7-19(12-18)24(30)26-16(3)4/h5-13,15-16H,14H2,1-4H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyLHVPSHFFHDKVRL-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.79
Rot. Bonds8

About 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 66889752) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID66889752
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)COc1ccc(-c2cc(-c3cccc(C(=O)NC(C)C)c3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O3/c1-15(2)25-23(29)14-31-20-10-8-17(9-11-20)21-13-22(28-27-21)18-6-5-7-19(12-18)24(30)26-16(3)4/h5-13,15-16H,14H2,1-4H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyLHVPSHFFHDKVRL-UHFFFAOYSA-N
XLogP3.79
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
CID 53324197
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
3-[5-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
CID 66893760
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529574
3-nitro-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide
CID 9253545
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664
N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide
CID 66826298
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (CID 66889752) is 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)COc1ccc(-c2cc(-c3cccc(C(=O)NC(C)C)c3)n[nH]2)cc1.
What is the InChIKey of 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is LHVPSHFFHDKVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15(2)25-23(29)14-31-20-10-8-17(9-11-20)21-13-22(28-27-21)18-6-5-7-19(12-18)24(30)26-16(3)4/h5-13,15-16H,14H2,1-4H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 66889752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).