3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

C20H21FN4O — CID 90375300

IUPAC3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCC(NC(=O)c1ccc(-c2cn[nH]c2)c(N(C)C)c1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-13(14-4-7-17(21)8-5-14)24-20(26)15-6-9-18(16-11-22-23-12-16)19(10-15)25(2)3/h4-13H,1-3H3,(H,22,23)(H,24,26)
InChIKeyYDXHQXWWAIVGGE-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.77
Rot. Bonds5

About 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90375300) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90375300
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCC(NC(=O)c1ccc(-c2cn[nH]c2)c(N(C)C)c1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-13(14-4-7-17(21)8-5-14)24-20(26)15-6-9-18(16-11-22-23-12-16)19(10-15)25(2)3/h4-13H,1-3H3,(H,22,23)(H,24,26)
InChIKeyYDXHQXWWAIVGGE-UHFFFAOYSA-N
XLogP3.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948
4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 90385105
4-bromo-3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 118662968
3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118668478
3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663049
3-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85469693
3-methoxy-N-(1-naphthalen-2-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 90354155
3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103856090
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 90375300) is 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is CC(NC(=O)c1ccc(-c2cn[nH]c2)c(N(C)C)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is YDXHQXWWAIVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13(14-4-7-17(21)8-5-14)24-20(26)15-6-9-18(16-11-22-23-12-16)19(10-15)25(2)3/h4-13H,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90375300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).