N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine

C14H25F2N3 — CID 82697652

IUPACN-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(CC)nn(CC(F)F)c1CC
InChIInChI=1S/C14H25F2N3/c1-5-8-17-10(4)14-11(6-2)18-19(9-13(15)16)12(14)7-3/h10,13,17H,5-9H2,1-4H3
InChIKeyWCUWEUNAJYFLAW-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.33
Rot. Bonds8

About N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine

N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 82697652) has the molecular formula C14H25F2N3 and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
PubChem CID82697652
Molecular FormulaC14H25F2N3
Molecular Weight273.37 g/mol
Exact Mass273.20
IUPAC NameN-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(CC)nn(CC(F)F)c1CC
InChIInChI=1S/C14H25F2N3/c1-5-8-17-10(4)14-11(6-2)18-19(9-13(15)16)12(14)7-3/h10,13,17H,5-9H2,1-4H3
InChIKeyWCUWEUNAJYFLAW-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 82698286
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine
CID 82700618
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 116618002
1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine
CID 82700730
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 107053743
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine (CID 82697652) is N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1c(CC)nn(CC(F)F)c1CC.
What is the InChIKey of N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is WCUWEUNAJYFLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3/c1-5-8-17-10(4)14-11(6-2)18-19(9-13(15)16)12(14)7-3/h10,13,17H,5-9H2,1-4H3.
What are the key properties of N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 82697652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).