[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

C19H23N3O2S — CID 24791245

IUPAC[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)C2CCCN(C(=O)c3cc(C)n(C)n3)C2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13-11-17(20-21(13)2)19(24)22-10-4-5-15(12-22)18(23)14-6-8-16(25-3)9-7-14/h6-9,11,15H,4-5,10,12H2,1-3H3
InChIKeyRHPHYXMTGJAFRX-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.19
Rot. Bonds4

About [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 24791245) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID24791245
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)C2CCCN(C(=O)c3cc(C)n(C)n3)C2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13-11-17(20-21(13)2)19(24)22-10-4-5-15(12-22)18(23)14-6-8-16(25-3)9-7-14/h6-9,11,15H,4-5,10,12H2,1-3H3
InChIKeyRHPHYXMTGJAFRX-UHFFFAOYSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (CID 24791245) is [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)C2CCCN(C(=O)c3cc(C)n(C)n3)C2)cc1.
What is the InChIKey of [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is RHPHYXMTGJAFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-11-17(20-21(13)2)19(24)22-10-4-5-15(12-22)18(23)14-6-8-16(25-3)9-7-14/h6-9,11,15H,4-5,10,12H2,1-3H3.
What are the key properties of [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 357.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 24791245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).