N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

C10H18F2N4 — CID 122166067

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccnn1C(F)F
InChIInChI=1S/C10H18F2N4/c1-15(2)7-3-5-13-8-9-4-6-14-16(9)10(11)12/h4,6,10,13H,3,5,7-8H2,1-2H3
InChIKeyHDTOUNGCGIBIPZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.32
Rot. Bonds7

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 122166067) has the molecular formula C10H18F2N4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID122166067
Molecular FormulaC10H18F2N4
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccnn1C(F)F
InChIInChI=1S/C10H18F2N4/c1-15(2)7-3-5-13-8-9-4-6-14-16(9)10(11)12/h4,6,10,13H,3,5,7-8H2,1-2H3
InChIKeyHDTOUNGCGIBIPZ-UHFFFAOYSA-N
XLogP1.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 122166067) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1ccnn1C(F)F.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HDTOUNGCGIBIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4/c1-15(2)7-3-5-13-8-9-4-6-14-16(9)10(11)12/h4,6,10,13H,3,5,7-8H2,1-2H3.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 232.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 122166067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).