4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine

C19H20FN3 — CID 67540194

IUPAC4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine
SMILESNCCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20FN3/c20-18-9-7-16(8-10-18)19(2-1-11-21)15-5-3-14(4-6-15)17-12-22-23-13-17/h3-10,12-13,19H,1-2,11,21H2,(H,22,23)
InChIKeyQONSFTHMYGQBDB-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.09
Rot. Bonds6

About 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine

4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine (PubChem CID 67540194) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine
PubChem CID67540194
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine
SMILESNCCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20FN3/c20-18-9-7-16(8-10-18)19(2-1-11-21)15-5-3-14(4-6-15)17-12-22-23-13-17/h3-10,12-13,19H,1-2,11,21H2,(H,22,23)
InChIKeyQONSFTHMYGQBDB-UHFFFAOYSA-N
XLogP4.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine?
The IUPAC name of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine (CID 67540194) is 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine is NCCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine?
The InChIKey is QONSFTHMYGQBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-18-9-7-16(8-10-18)19(2-1-11-21)15-5-3-14(4-6-15)17-12-22-23-13-17/h3-10,12-13,19H,1-2,11,21H2,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine?
4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine has a molecular weight of 309.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine is sourced from PubChem (CID 67540194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).