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

C19H18FN3O — CID 568910

IUPAC2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
SMILESCc1ccccc1Cn1cc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C19H18FN3O/c1-14-4-2-3-5-16(14)12-23-13-18(11-21-23)22-19(24)10-15-6-8-17(20)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,22,24)
InChIKeyHMSXCGUMKSGAKN-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.56
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 568910) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID568910
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
SMILESCc1ccccc1Cn1cc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C19H18FN3O/c1-14-4-2-3-5-16(14)12-23-13-18(11-21-23)22-19(24)10-15-6-8-17(20)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,22,24)
InChIKeyHMSXCGUMKSGAKN-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide (CID 568910) is 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide is Cc1ccccc1Cn1cc(NC(=O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is HMSXCGUMKSGAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14-4-2-3-5-16(14)12-23-13-18(11-21-23)22-19(24)10-15-6-8-17(20)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,22,24).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 568910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).