[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H23N5O — CID 8934323

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)n1
InChIInChI=1S/C21H23N5O/c1-16-15-17(2)26(23-16)19-8-6-18(7-9-19)21(27)25-13-11-24(12-14-25)20-5-3-4-10-22-20/h3-10,15H,11-14H2,1-2H3
InChIKeyKXNYKSJHNTUBAO-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.85
Rot. Bonds3

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 8934323) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID8934323
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)n1
InChIInChI=1S/C21H23N5O/c1-16-15-17(2)26(23-16)19-8-6-18(7-9-19)21(27)25-13-11-24(12-14-25)20-5-3-4-10-22-20/h3-10,15H,11-14H2,1-2H3
InChIKeyKXNYKSJHNTUBAO-UHFFFAOYSA-N
XLogP2.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-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-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 8934323) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KXNYKSJHNTUBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-15-17(2)26(23-16)19-8-6-18(7-9-19)21(27)25-13-11-24(12-14-25)20-5-3-4-10-22-20/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 8934323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).