N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide

C21H22FN3O — CID 18103199

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H22FN3O/c1-16(18-9-11-19(22)12-10-18)24(2)21(26)13-8-17-14-23-25(15-17)20-6-4-3-5-7-20/h3-7,9-12,14-16H,8,13H2,1-2H3
InChIKeyKBBBQULJQYYQFL-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.16
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 18103199) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID18103199
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H22FN3O/c1-16(18-9-11-19(22)12-10-18)24(2)21(26)13-8-17-14-23-25(15-17)20-6-4-3-5-7-20/h3-7,9-12,14-16H,8,13H2,1-2H3
InChIKeyKBBBQULJQYYQFL-UHFFFAOYSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 56532369
3-(4-fluorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 9471332
N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 111542921
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24515240
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide
CID 42935777
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide (CID 18103199) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide is CC(c1ccc(F)cc1)N(C)C(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is KBBBQULJQYYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-16(18-9-11-19(22)12-10-18)24(2)21(26)13-8-17-14-23-25(15-17)20-6-4-3-5-7-20/h3-7,9-12,14-16H,8,13H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 351.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 18103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).