[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C21H23N5O — CID 39885237

IUPAC[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)n1
InChIInChI=1S/C21H23N5O/c1-16-14-17(2)26(23-16)20-9-8-18(15-22-20)21(27)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyHIWQPNGFSSRHSO-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.85
Rot. Bonds3

About [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 39885237) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID39885237
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)n1
InChIInChI=1S/C21H23N5O/c1-16-14-17(2)26(23-16)20-9-8-18(15-22-20)21(27)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyHIWQPNGFSSRHSO-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

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Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 39885237) is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)n1.
What is the InChIKey of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HIWQPNGFSSRHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-14-17(2)26(23-16)20-9-8-18(15-22-20)21(27)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-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 [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 39885237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).