N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide

C14H14F3N3O — CID 47036218

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)6-13(21)18-7-12-8-19-20(10-12)9-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,18,21)
InChIKeyNPJYFWJRTBHSNA-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide

N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 47036218) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID47036218
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)6-13(21)18-7-12-8-19-20(10-12)9-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,18,21)
InChIKeyNPJYFWJRTBHSNA-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide (CID 47036218) is N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is NPJYFWJRTBHSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)6-13(21)18-7-12-8-19-20(10-12)9-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,18,21).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 297.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 47036218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).