N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine

C14H24F3N3 — CID 82697464

IUPACN-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CCC(F)(F)F)c1CC
InChIInChI=1S/C14H24F3N3/c1-4-8-18-10-11-12(5-2)19-20(13(11)6-3)9-7-14(15,16)17/h18H,4-10H2,1-3H3
InChIKeyMFOMZHSJXYKTFS-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.46
Rot. Bonds8

About N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 82697464) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID82697464
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC NameN-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CCC(F)(F)F)c1CC
InChIInChI=1S/C14H24F3N3/c1-4-8-18-10-11-12(5-2)19-20(13(11)6-3)9-7-14(15,16)17/h18H,4-10H2,1-3H3
InChIKeyMFOMZHSJXYKTFS-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3,5-diethyl-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-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine (CID 82697464) is N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(CC)nn(CCC(F)(F)F)c1CC.
What is the InChIKey of N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is MFOMZHSJXYKTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-4-8-18-10-11-12(5-2)19-20(13(11)6-3)9-7-14(15,16)17/h18H,4-10H2,1-3H3.
What are the key properties of N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82697464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).