N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide

C20H20N4O3 — CID 33252679

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-21-19(25)14-27-18-10-6-16(7-11-18)23-20(26)15-4-8-17(9-5-15)24-13-3-12-22-24/h3-13H,2,14H2,1H3,(H,21,25)(H,23,26)
InChIKeyGKFNMHFOICXUOM-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.64
Rot. Bonds7

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide (PubChem CID 33252679) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
PubChem CID33252679
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-21-19(25)14-27-18-10-6-16(7-11-18)23-20(26)15-4-8-17(9-5-15)24-13-3-12-22-24/h3-13H,2,14H2,1H3,(H,21,25)(H,23,26)
InChIKeyGKFNMHFOICXUOM-UHFFFAOYSA-N
XLogP2.64
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 32940874
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 39041372
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide
CID 46460655
N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
CID 26702605
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789781

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide (CID 33252679) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide is CCNC(=O)COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is GKFNMHFOICXUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-21-19(25)14-27-18-10-6-16(7-11-18)23-20(26)15-4-8-17(9-5-15)24-13-3-12-22-24/h3-13H,2,14H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 364.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 33252679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).