N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide

C22H25FN4O — CID 110281662

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN(C)CCC(NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O/c1-26(2)15-12-21(18-8-10-20(23)11-9-18)25-22(28)19-6-4-17(5-7-19)16-27-14-3-13-24-27/h3-11,13-14,21H,12,15-16H2,1-2H3,(H,25,28)
InChIKeyHHGPBMRPTRJCOZ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.49
Rot. Bonds8

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 110281662) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID110281662
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN(C)CCC(NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O/c1-26(2)15-12-21(18-8-10-20(23)11-9-18)25-22(28)19-6-4-17(5-7-19)16-27-14-3-13-24-27/h3-11,13-14,21H,12,15-16H2,1-2H3,(H,25,28)
InChIKeyHHGPBMRPTRJCOZ-UHFFFAOYSA-N
XLogP3.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281659
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
CID 110281864
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-nitrobenzamide
CID 110281831
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
N-(1-phenylbut-3-ynyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 71908993
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281663
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 110281662) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide is CN(C)CCC(NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is HHGPBMRPTRJCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-26(2)15-12-21(18-8-10-20(23)11-9-18)25-22(28)19-6-4-17(5-7-19)16-27-14-3-13-24-27/h3-11,13-14,21H,12,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 110281662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).