4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide

C22H23FN4O2 — CID 99122333

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)c1
InChIInChI=1S/C22H23FN4O2/c1-4-24-21(28)17-7-5-6-16(11-17)13-25-22(29)18-8-9-20(19(23)12-18)27-15(3)10-14(2)26-27/h5-12H,4,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyUCTATJDECWTSBE-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.31
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide (PubChem CID 99122333) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
PubChem CID99122333
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)c1
InChIInChI=1S/C22H23FN4O2/c1-4-24-21(28)17-7-5-6-16(11-17)13-25-22(29)18-8-9-20(19(23)12-18)27-15(3)10-14(2)26-27/h5-12H,4,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyUCTATJDECWTSBE-UHFFFAOYSA-N
XLogP3.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119630697
3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249379
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119499692
3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]-ethylamino]propanoic acid
CID 119191017
2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119188115
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide
CID 146128414
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
CID 96540104
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide
CID 86939357
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide (CID 99122333) is 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide is CCNC(=O)c1cccc(CNC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)c1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
The InChIKey is UCTATJDECWTSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-4-24-21(28)17-7-5-6-16(11-17)13-25-22(29)18-8-9-20(19(23)12-18)27-15(3)10-14(2)26-27/h5-12H,4,13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide has a molecular weight of 394.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 99122333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).