N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide

C23H26FN3O — CID 45241439

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H26FN3O/c1-16-19(17(2)26-25-16)13-14-27(3)23(28)15-21(18-9-5-4-6-10-18)20-11-7-8-12-22(20)24/h4-12,21H,13-15H2,1-3H3,(H,25,26)
InChIKeyOLLDMGWNHIRHIJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.39
Rot. Bonds7

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide (PubChem CID 45241439) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
PubChem CID45241439
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H26FN3O/c1-16-19(17(2)26-25-16)13-14-27(3)23(28)15-21(18-9-5-4-6-10-18)20-11-7-8-12-22(20)24/h4-12,21H,13-15H2,1-3H3,(H,25,26)
InChIKeyOLLDMGWNHIRHIJ-UHFFFAOYSA-N
XLogP4.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide (CID 45241439) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide is Cc1n[nH]c(C)c1CCN(C)C(=O)CC(c1ccccc1)c1ccccc1F.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is OLLDMGWNHIRHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-16-19(17(2)26-25-16)13-14-27(3)23(28)15-21(18-9-5-4-6-10-18)20-11-7-8-12-22(20)24/h4-12,21H,13-15H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 379.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 45241439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).