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

C18H18FN3 — CID 59446753

IUPAC3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1F
InChIInChI=1S/C18H18FN3/c19-18-4-2-1-3-17(18)16(9-10-20)14-7-5-13(6-8-14)15-11-21-22-12-15/h1-8,11-12,16H,9-10,20H2,(H,21,22)
InChIKeyYQVZTNQQIRKPSD-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.70
Rot. Bonds5

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

3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 59446753) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID59446753
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1F
InChIInChI=1S/C18H18FN3/c19-18-4-2-1-3-17(18)16(9-10-20)14-7-5-13(6-8-14)15-11-21-22-12-15/h1-8,11-12,16H,9-10,20H2,(H,21,22)
InChIKeyYQVZTNQQIRKPSD-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 59446753) is 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is NCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is YQVZTNQQIRKPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c19-18-4-2-1-3-17(18)16(9-10-20)14-7-5-13(6-8-14)15-11-21-22-12-15/h1-8,11-12,16H,9-10,20H2,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 295.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 59446753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).