1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile

C20H24FN5 — CID 146240969

IUPAC1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CC(c3ccc(F)cc3)CC2N2CCCC(N)C2)c1
InChIInChI=1S/C20H24FN5/c21-17-5-3-15(4-6-17)16-8-19(25-7-1-2-18(23)13-25)20(9-16)26-12-14(10-22)11-24-26/h3-6,11-12,16,18-20H,1-2,7-9,13,23H2
InChIKeyKKHVKJCJLDSGBE-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.80
Rot. Bonds3

About 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile

1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile (PubChem CID 146240969) has the molecular formula C20H24FN5 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile
PubChem CID146240969
Molecular FormulaC20H24FN5
Molecular Weight353.44 g/mol
Exact Mass353.20
IUPAC Name1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CC(c3ccc(F)cc3)CC2N2CCCC(N)C2)c1
InChIInChI=1S/C20H24FN5/c21-17-5-3-15(4-6-17)16-8-19(25-7-1-2-18(23)13-25)20(9-16)26-12-14(10-22)11-24-26/h3-6,11-12,16,18-20H,1-2,7-9,13,23H2
InChIKeyKKHVKJCJLDSGBE-UHFFFAOYSA-N
XLogP2.80
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile (CID 146240969) is 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CC(c3ccc(F)cc3)CC2N2CCCC(N)C2)c1.
What is the InChIKey of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
The InChIKey is KKHVKJCJLDSGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c21-17-5-3-15(4-6-17)16-8-19(25-7-1-2-18(23)13-25)20(9-16)26-12-14(10-22)11-24-26/h3-6,11-12,16,18-20H,1-2,7-9,13,23H2.
What are the key properties of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile has a molecular weight of 353.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 146240969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).