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

C16H22FN3 — CID 79218906

IUPACN-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCNCC(C)c1c(C)nn(-c2ccccc2F)c1C
InChIInChI=1S/C16H22FN3/c1-5-18-10-11(2)16-12(3)19-20(13(16)4)15-9-7-6-8-14(15)17/h6-9,11,18H,5,10H2,1-4H3
InChIKeyWPRGXETYUFRQSV-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.34
Rot. Bonds5

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

N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 79218906) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID79218906
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCNCC(C)c1c(C)nn(-c2ccccc2F)c1C
InChIInChI=1S/C16H22FN3/c1-5-18-10-11(2)16-12(3)19-20(13(16)4)15-9-7-6-8-14(15)17/h6-9,11,18H,5,10H2,1-4H3
InChIKeyWPRGXETYUFRQSV-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 79218906) is N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is CCNCC(C)c1c(C)nn(-c2ccccc2F)c1C.
What is the InChIKey of N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is WPRGXETYUFRQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-5-18-10-11(2)16-12(3)19-20(13(16)4)15-9-7-6-8-14(15)17/h6-9,11,18H,5,10H2,1-4H3.
What are the key properties of N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 79218906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).