N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine

C12H20F2N4O — CID 122166078

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFC(F)n1nccc1CNCCCN1CCOCC1
InChIInChI=1S/C12H20F2N4O/c13-12(14)18-11(2-4-16-18)10-15-3-1-5-17-6-8-19-9-7-17/h2,4,12,15H,1,3,5-10H2
InChIKeyGVLLHPOTEHHTCL-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.09
Rot. Bonds7

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 122166078) has the molecular formula C12H20F2N4O and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID122166078
Molecular FormulaC12H20F2N4O
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFC(F)n1nccc1CNCCCN1CCOCC1
InChIInChI=1S/C12H20F2N4O/c13-12(14)18-11(2-4-16-18)10-15-3-1-5-17-6-8-19-9-7-17/h2,4,12,15H,1,3,5-10H2
InChIKeyGVLLHPOTEHHTCL-UHFFFAOYSA-N
XLogP1.09
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 122166078) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine is FC(F)n1nccc1CNCCCN1CCOCC1.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is GVLLHPOTEHHTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c13-12(14)18-11(2-4-16-18)10-15-3-1-5-17-6-8-19-9-7-17/h2,4,12,15H,1,3,5-10H2.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 274.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 122166078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).