N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine

C17H24FN3 — CID 82698530

IUPACN-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCCc1cc(CC)n(-c2ccc(F)cc2CNC(C)C)n1
InChIInChI=1S/C17H24FN3/c1-5-15-10-16(6-2)21(20-15)17-8-7-14(18)9-13(17)11-19-12(3)4/h7-10,12,19H,5-6,11H2,1-4H3
InChIKeyYQIZCQSDMWWWFK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.63
Rot. Bonds6

About N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine

N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine (PubChem CID 82698530) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
PubChem CID82698530
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCCc1cc(CC)n(-c2ccc(F)cc2CNC(C)C)n1
InChIInChI=1S/C17H24FN3/c1-5-15-10-16(6-2)21(20-15)17-8-7-14(18)9-13(17)11-19-12(3)4/h7-10,12,19H,5-6,11H2,1-4H3
InChIKeyYQIZCQSDMWWWFK-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 82700524
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62489855
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 63217806
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81103994
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009
N-[[2-(3,5-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313806
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854922
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43584751
N-[[1-(2,4-difluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66439849

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine (CID 82698530) is N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine is CCc1cc(CC)n(-c2ccc(F)cc2CNC(C)C)n1.
What is the InChIKey of N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The InChIKey is YQIZCQSDMWWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-15-10-16(6-2)21(20-15)17-8-7-14(18)9-13(17)11-19-12(3)4/h7-10,12,19H,5-6,11H2,1-4H3.
What are the key properties of N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 82698530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).