1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine

C9H14F3N3O — CID 79778268

IUPAC1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine
SMILESCn1ccc(NCCCOCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-15-5-3-8(14-15)13-4-2-6-16-7-9(10,11)12/h3,5H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyQKIVIBFGKCKRFM-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.80
Rot. Bonds6

About 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine

1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine (PubChem CID 79778268) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine
PubChem CID79778268
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine
SMILESCn1ccc(NCCCOCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-15-5-3-8(14-15)13-4-2-6-16-7-9(10,11)12/h3,5H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyQKIVIBFGKCKRFM-UHFFFAOYSA-N
XLogP1.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-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 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine (CID 79778268) is 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine is Cn1ccc(NCCCOCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine?
The InChIKey is QKIVIBFGKCKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-15-5-3-8(14-15)13-4-2-6-16-7-9(10,11)12/h3,5H,2,4,6-7H2,1H3,(H,13,14).
What are the key properties of 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine?
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine has a molecular weight of 237.22 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine is sourced from PubChem (CID 79778268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).