(4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone

C17H21N5OS — CID 71921951

IUPAC(4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-n2cccn2)ccn1)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C17H21N5OS/c23-17(16-12-14(2-5-18-16)22-6-1-4-19-22)21-9-7-20(8-10-21)15-3-11-24-13-15/h1-2,4-6,12,15H,3,7-11,13H2
InChIKeyJYCRPMFYMIHGBE-UHFFFAOYSA-N
MW343.46 g/mol
LogP1.53
Rot. Bonds3

About (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone

(4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone (PubChem CID 71921951) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
PubChem CID71921951
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-n2cccn2)ccn1)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C17H21N5OS/c23-17(16-12-14(2-5-18-16)22-6-1-4-19-22)21-9-7-20(8-10-21)15-3-11-24-13-15/h1-2,4-6,12,15H,3,7-11,13H2
InChIKeyJYCRPMFYMIHGBE-UHFFFAOYSA-N
XLogP1.53
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone (CID 71921951) is (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone is O=C(c1cc(-n2cccn2)ccn1)N1CCN(C2CCSC2)CC1.
What is the InChIKey of (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The InChIKey is JYCRPMFYMIHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-17(16-12-14(2-5-18-16)22-6-1-4-19-22)21-9-7-20(8-10-21)15-3-11-24-13-15/h1-2,4-6,12,15H,3,7-11,13H2.
What are the key properties of (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
(4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone has a molecular weight of 343.46 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-yl-2-pyridinyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71921951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).