N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine

C10H16F3N3 — CID 64567805

IUPACN-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C10H16F3N3/c1-2-4-14-6-9-7-15-16(8-9)5-3-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyGINVGSBJLFBWHY-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.34
Rot. Bonds6

About N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 64567805) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID64567805
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C10H16F3N3/c1-2-4-14-6-9-7-15-16(8-9)5-3-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyGINVGSBJLFBWHY-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine 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-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine (CID 64567805) is N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(CCC(F)(F)F)c1.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is GINVGSBJLFBWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-2-4-14-6-9-7-15-16(8-9)5-3-10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 64567805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).