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

C14H14F3N3O — CID 4795609

IUPACN-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O/c1-10-2-4-11(5-3-10)8-18-13(21)9-20-7-6-12(19-20)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyXDTLHKIMTDADPD-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.53
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4795609) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4795609
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O/c1-10-2-4-11(5-3-10)8-18-13(21)9-20-7-6-12(19-20)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyXDTLHKIMTDADPD-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4795609) is N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is XDTLHKIMTDADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-10-2-4-11(5-3-10)8-18-13(21)9-20-7-6-12(19-20)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 297.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4795609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).