1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile

C20H23F2N5 — CID 146240775

IUPAC1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CC(c3ccc(F)cc3)CC2N2CC(N)CC(F)C2)c1
InChIInChI=1S/C20H23F2N5/c21-16-3-1-14(2-4-16)15-5-19(26-11-17(22)7-18(24)12-26)20(6-15)27-10-13(8-23)9-25-27/h1-4,9-10,15,17-20H,5-7,11-12,24H2
InChIKeyJIQJJGRQXFKITC-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.75
Rot. Bonds3

About 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile

1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile (PubChem CID 146240775) has the molecular formula C20H23F2N5 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile
PubChem CID146240775
Molecular FormulaC20H23F2N5
Molecular Weight371.44 g/mol
Exact Mass371.19
IUPAC Name1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CC(c3ccc(F)cc3)CC2N2CC(N)CC(F)C2)c1
InChIInChI=1S/C20H23F2N5/c21-16-3-1-14(2-4-16)15-5-19(26-11-17(22)7-18(24)12-26)20(6-15)27-10-13(8-23)9-25-27/h1-4,9-10,15,17-20H,5-7,11-12,24H2
InChIKeyJIQJJGRQXFKITC-UHFFFAOYSA-N
XLogP2.75
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile (CID 146240775) is 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CC(c3ccc(F)cc3)CC2N2CC(N)CC(F)C2)c1.
What is the InChIKey of 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
The InChIKey is JIQJJGRQXFKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5/c21-16-3-1-14(2-4-16)15-5-19(26-11-17(22)7-18(24)12-26)20(6-15)27-10-13(8-23)9-25-27/h1-4,9-10,15,17-20H,5-7,11-12,24H2.
What are the key properties of 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile?
1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 146240775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).