N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C12H19F4N3O — CID 103475633

IUPACN-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCCn1nccc1C(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C12H19F4N3O/c1-3-6-19-10(4-5-18-19)9(17-2)7-20-8-12(15,16)11(13)14/h4-5,9,11,17H,3,6-8H2,1-2H3
InChIKeyRLBFTUWVISLPAO-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.47
Rot. Bonds9

About N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475633) has the molecular formula C12H19F4N3O and a molecular weight of 297.30 g/mol. Its IUPAC name is N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475633
Molecular FormulaC12H19F4N3O
Molecular Weight297.30 g/mol
Exact Mass297.15
IUPAC NameN-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCCn1nccc1C(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C12H19F4N3O/c1-3-6-19-10(4-5-18-19)9(17-2)7-20-8-12(15,16)11(13)14/h4-5,9,11,17H,3,6-8H2,1-2H3
InChIKeyRLBFTUWVISLPAO-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215294
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475278
[1-(2-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477564
N-methyl-1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475583
N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475642
[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151691
2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65128079
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105306916

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475633) is N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCCn1nccc1C(COCC(F)(F)C(F)F)NC.
What is the InChIKey of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is RLBFTUWVISLPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4N3O/c1-3-6-19-10(4-5-18-19)9(17-2)7-20-8-12(15,16)11(13)14/h4-5,9,11,17H,3,6-8H2,1-2H3.
What are the key properties of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 297.30 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).