1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine

C13H23F2N3O — CID 103149610

IUPAC1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCNC(CCOCC(F)F)CCc1ccnn1C
InChIInChI=1S/C13H23F2N3O/c1-3-16-11(7-9-19-10-13(14)15)4-5-12-6-8-17-18(12)2/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3
InChIKeyMBDGAKHWEOWGAI-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.00
Rot. Bonds10

About 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine

1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine (PubChem CID 103149610) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
PubChem CID103149610
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCNC(CCOCC(F)F)CCc1ccnn1C
InChIInChI=1S/C13H23F2N3O/c1-3-16-11(7-9-19-10-13(14)15)4-5-12-6-8-17-18(12)2/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3
InChIKeyMBDGAKHWEOWGAI-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
1-(2,2-difluoroethoxy)-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103147232
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
CID 103030436
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine
CID 107443711
1-(3-bromophenyl)sulfanyl-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103010950

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine (CID 103149610) is 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine is CCNC(CCOCC(F)F)CCc1ccnn1C.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The InChIKey is MBDGAKHWEOWGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3O/c1-3-16-11(7-9-19-10-13(14)15)4-5-12-6-8-17-18(12)2/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine?
1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine has a molecular weight of 275.34 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine is sourced from PubChem (CID 103149610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).