N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide

C16H21FN4O — CID 95276598

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
SMILESC[C@@H](Cn1cccn1)NCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c1-13(11-21-9-3-8-19-21)18-10-16(22)20(2)12-14-4-6-15(17)7-5-14/h3-9,13,18H,10-12H2,1-2H3/t13-/m0/s1
InChIKeyLMRHPVXITONZOS-ZDUSSCGKSA-N
MW304.37 g/mol
LogP1.66
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide (PubChem CID 95276598) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
PubChem CID95276598
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
SMILESC[C@@H](Cn1cccn1)NCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c1-13(11-21-9-3-8-19-21)18-10-16(22)20(2)12-14-4-6-15(17)7-5-14/h3-9,13,18H,10-12H2,1-2H3/t13-/m0/s1
InChIKeyLMRHPVXITONZOS-ZDUSSCGKSA-N
XLogP1.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95346005
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate
CID 18158295
N-[(4-bromophenyl)methyl]-2-(butan-2-ylamino)-N-methylacetamide
CID 60646795
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
N-(furan-2-ylmethyl)-N-methyl-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95306746
N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
CID 95278227
N-carbamoyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 61462815
1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-methyl-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95383507
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide (CID 95276598) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide is C[C@@H](Cn1cccn1)NCC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The InChIKey is LMRHPVXITONZOS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-13(11-21-9-3-8-19-21)18-10-16(22)20(2)12-14-4-6-15(17)7-5-14/h3-9,13,18H,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide is sourced from PubChem (CID 95276598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).