N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide

C22H23FN4O — CID 166361664

IUPACN-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide
SMILESCCN(C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)C1CN(C)C1
InChIInChI=1S/C22H23FN4O/c1-3-26(20-14-25(2)15-20)22(28)17-6-10-19(11-7-17)27-21(12-13-24-27)16-4-8-18(23)9-5-16/h4-13,20H,3,14-15H2,1-2H3
InChIKeyNGIURLVYWJYFLX-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.45
Rot. Bonds5

About N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide

N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide (PubChem CID 166361664) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide
PubChem CID166361664
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide
SMILESCCN(C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)C1CN(C)C1
InChIInChI=1S/C22H23FN4O/c1-3-26(20-14-25(2)15-20)22(28)17-6-10-19(11-7-17)27-21(12-13-24-27)16-4-8-18(23)9-5-16/h4-13,20H,3,14-15H2,1-2H3
InChIKeyNGIURLVYWJYFLX-UHFFFAOYSA-N
XLogP3.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide?
The IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide (CID 166361664) is N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide.
What is the SMILES notation for N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide?
The canonical SMILES for N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide is CCN(C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)C1CN(C)C1.
What is the InChIKey of N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide?
The InChIKey is NGIURLVYWJYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-26(20-14-25(2)15-20)22(28)17-6-10-19(11-7-17)27-21(12-13-24-27)16-4-8-18(23)9-5-16/h4-13,20H,3,14-15H2,1-2H3.
What are the key properties of N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide?
N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-(1-methylazetidin-3-yl)benzamide is sourced from PubChem (CID 166361664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).