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

C17H24FN3 — CID 79223350

IUPACN-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1c(C)nn(-c2cccc(F)c2)c1C
InChIInChI=1S/C17H24FN3/c1-5-19-11-12(2)9-17-13(3)20-21(14(17)4)16-8-6-7-15(18)10-16/h6-8,10,12,19H,5,9,11H2,1-4H3
InChIKeyZZOJQFPVQRCQPQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.42
Rot. Bonds6

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

N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (PubChem CID 79223350) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
PubChem CID79223350
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1c(C)nn(-c2cccc(F)c2)c1C
InChIInChI=1S/C17H24FN3/c1-5-19-11-12(2)9-17-13(3)20-21(14(17)4)16-8-6-7-15(18)10-16/h6-8,10,12,19H,5,9,11H2,1-4H3
InChIKeyZZOJQFPVQRCQPQ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (CID 79223350) is N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is CCNCC(C)Cc1c(C)nn(-c2cccc(F)c2)c1C.
What is the InChIKey of N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is ZZOJQFPVQRCQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-19-11-12(2)9-17-13(3)20-21(14(17)4)16-8-6-7-15(18)10-16/h6-8,10,12,19H,5,9,11H2,1-4H3.
What are the key properties of N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79223350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).