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

C13H16F3N5O — CID 3106238

IUPACN-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C13H16F3N5O/c1-10-7-11(13(14,15)16)19-21(10)8-12(22)18-3-2-5-20-6-4-17-9-20/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,22)
InChIKeyRYJBIOTUORKRIB-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.61
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 3106238) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID3106238
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C13H16F3N5O/c1-10-7-11(13(14,15)16)19-21(10)8-12(22)18-3-2-5-20-6-4-17-9-20/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,22)
InChIKeyRYJBIOTUORKRIB-UHFFFAOYSA-N
XLogP1.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide 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-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 3106238) is N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is RYJBIOTUORKRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-10-7-11(13(14,15)16)19-21(10)8-12(22)18-3-2-5-20-6-4-17-9-20/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 315.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 3106238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).