5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine

C19H24F2N4 — CID 149453304

IUPAC5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine
SMILESNC1CC(F)CN(C2CC(c3ccc(F)cc3)CC2n2cccn2)C1
InChIInChI=1S/C19H24F2N4/c20-15-4-2-13(3-5-15)14-8-18(19(9-14)25-7-1-6-23-25)24-11-16(21)10-17(22)12-24/h1-7,14,16-19H,8-12,22H2
InChIKeyYYBCNHLZAHJUAY-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.88
Rot. Bonds3

About 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine

5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine (PubChem CID 149453304) has the molecular formula C19H24F2N4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine
PubChem CID149453304
Molecular FormulaC19H24F2N4
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine
SMILESNC1CC(F)CN(C2CC(c3ccc(F)cc3)CC2n2cccn2)C1
InChIInChI=1S/C19H24F2N4/c20-15-4-2-13(3-5-15)14-8-18(19(9-14)25-7-1-6-23-25)24-11-16(21)10-17(22)12-24/h1-7,14,16-19H,8-12,22H2
InChIKeyYYBCNHLZAHJUAY-UHFFFAOYSA-N
XLogP2.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-Fluorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidine
CID 28357663
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
1,2-dimethyl-4-[2-(1H-pyrazol-1-ylmethyl)benzyl]piperazine
CID 50962406
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
US11274091, Example 6
CID 146240775
US11274091, Example 3
CID 146240801
US11274091, Example 8
CID 146240925
US11274091, Example 2
CID 146240969
US11274091, Example 7
CID 146240975
4-(4-phenyl-1H-pyrazol-1-yl)piperidine
CID 24208827
3-[2-(4-fluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 56865788
N-[[3-cyclohexyl-1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546530

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine?
The IUPAC name of 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine (CID 149453304) is 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine is NC1CC(F)CN(C2CC(c3ccc(F)cc3)CC2n2cccn2)C1.
What is the InChIKey of 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine?
The InChIKey is YYBCNHLZAHJUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4/c20-15-4-2-13(3-5-15)14-8-18(19(9-14)25-7-1-6-23-25)24-11-16(21)10-17(22)12-24/h1-7,14,16-19H,8-12,22H2.
What are the key properties of 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine?
5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine has a molecular weight of 346.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(4-fluorophenyl)-2-pyrazol-1-ylcyclopentyl]piperidin-3-amine is sourced from PubChem (CID 149453304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).