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

C17H24FN3 — CID 56716650

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCCn1nc(C)c(CNC(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C17H24FN3/c1-5-21-14(4)17(13(3)20-21)11-19-12(2)9-15-7-6-8-16(18)10-15/h6-8,10,12,19H,5,9,11H2,1-4H3
InChIKeyVQQADPSAVMJJEB-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.38
Rot. Bonds6

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine (PubChem CID 56716650) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
PubChem CID56716650
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCCn1nc(C)c(CNC(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C17H24FN3/c1-5-21-14(4)17(13(3)20-21)11-19-12(2)9-15-7-6-8-16(18)10-15/h6-8,10,12,19H,5,9,11H2,1-4H3
InChIKeyVQQADPSAVMJJEB-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine (CID 56716650) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine is CCn1nc(C)c(CNC(C)Cc2cccc(F)c2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is VQQADPSAVMJJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-21-14(4)17(13(3)20-21)11-19-12(2)9-15-7-6-8-16(18)10-15/h6-8,10,12,19H,5,9,11H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 56716650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).