2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C19H18FN3O2 — CID 1224532

IUPAC2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O2/c1-2-25-18-6-4-3-5-17(18)19(24)22-16-11-21-23(13-16)12-14-7-9-15(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyJKXSSNWYOVPUDX-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.72
Rot. Bonds6

About 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 1224532) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID1224532
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O2/c1-2-25-18-6-4-3-5-17(18)19(24)22-16-11-21-23(13-16)12-14-7-9-15(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyJKXSSNWYOVPUDX-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-Dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide
CID 645802
N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-(4-(2-aminoethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-methoxybenzamide
CID 46833678
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 57945020
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 1224532) is 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is CCOc1ccccc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is JKXSSNWYOVPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-25-18-6-4-3-5-17(18)19(24)22-16-11-21-23(13-16)12-14-7-9-15(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24).
What are the key properties of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 1224532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).