2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine

C10H17F2N3O — CID 103081053

IUPAC2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1n[nH]c(C)c1CNCCOCC(F)F
InChIInChI=1S/C10H17F2N3O/c1-7-9(8(2)15-14-7)5-13-3-4-16-6-10(11)12/h10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyQRENDCDJRSBSAB-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.40
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 103081053) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID103081053
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1n[nH]c(C)c1CNCCOCC(F)F
InChIInChI=1S/C10H17F2N3O/c1-7-9(8(2)15-14-7)5-13-3-4-16-6-10(11)12/h10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyQRENDCDJRSBSAB-UHFFFAOYSA-N
XLogP1.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 103081053) is 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1n[nH]c(C)c1CNCCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is QRENDCDJRSBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-7-9(8(2)15-14-7)5-13-3-4-16-6-10(11)12/h10,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 233.26 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103081053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).