2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C21H23FN4O — CID 52906023

IUPAC2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(-c2cn(CC(=O)NCc3ccc(F)cc3)nc2N(C)C)cc1
InChIInChI=1S/C21H23FN4O/c1-15-4-8-17(9-5-15)19-13-26(24-21(19)25(2)3)14-20(27)23-12-16-6-10-18(22)11-7-16/h4-11,13H,12,14H2,1-3H3,(H,23,27)
InChIKeyZFMVPHKKXZGAFF-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.38
Rot. Bonds6

About 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 52906023) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID52906023
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(-c2cn(CC(=O)NCc3ccc(F)cc3)nc2N(C)C)cc1
InChIInChI=1S/C21H23FN4O/c1-15-4-8-17(9-5-15)19-13-26(24-21(19)25(2)3)14-20(27)23-12-16-6-10-18(22)11-7-16/h4-11,13H,12,14H2,1-3H3,(H,23,27)
InChIKeyZFMVPHKKXZGAFF-UHFFFAOYSA-N
XLogP3.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 52906023) is 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1ccc(-c2cn(CC(=O)NCc3ccc(F)cc3)nc2N(C)C)cc1.
What is the InChIKey of 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ZFMVPHKKXZGAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-4-8-17(9-5-15)19-13-26(24-21(19)25(2)3)14-20(27)23-12-16-6-10-18(22)11-7-16/h4-11,13H,12,14H2,1-3H3,(H,23,27).
What are the key properties of 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 52906023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).