N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H14F3N3O — CID 653962

IUPACN-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCc1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-10-7-12(14(15,16)17)19-20(10)9-13(21)18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyDSIQRWIHYLASFA-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.53
Rot. Bonds4

About N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 653962) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID653962
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCc1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-10-7-12(14(15,16)17)19-20(10)9-13(21)18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyDSIQRWIHYLASFA-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-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 653962) is N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DSIQRWIHYLASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-10-7-12(14(15,16)17)19-20(10)9-13(21)18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-benzyl-2-[5-methyl-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-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 653962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).