2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

C18H18FN3 — CID 68650271

IUPAC2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCC(Cc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3/c19-18-7-5-14(6-8-18)16(10-20)9-13-1-3-15(4-2-13)17-11-21-22-12-17/h1-8,11-12,16H,9-10,20H2,(H,21,22)
InChIKeyOULZTXMNRUECSZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 68650271) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID68650271
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCC(Cc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3/c19-18-7-5-14(6-8-18)16(10-20)9-13-1-3-15(4-2-13)17-11-21-22-12-17/h1-8,11-12,16H,9-10,20H2,(H,21,22)
InChIKeyOULZTXMNRUECSZ-UHFFFAOYSA-N
XLogP3.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 68650271) is 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is NCC(Cc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is OULZTXMNRUECSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c19-18-7-5-14(6-8-18)16(10-20)9-13-1-3-15(4-2-13)17-11-21-22-12-17/h1-8,11-12,16H,9-10,20H2,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 295.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 68650271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).