(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

C17H21N3O — CID 110871165

IUPAC(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(n3cccn3)CC2)cc1C
InChIInChI=1S/C17H21N3O/c1-13-4-5-15(12-14(13)2)17(21)19-10-6-16(7-11-19)20-9-3-8-18-20/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeyNVFGWUZUMKRCEV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.98
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 110871165) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID110871165
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(n3cccn3)CC2)cc1C
InChIInChI=1S/C17H21N3O/c1-13-4-5-15(12-14(13)2)17(21)19-10-6-16(7-11-19)20-9-3-8-18-20/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeyNVFGWUZUMKRCEV-UHFFFAOYSA-N
XLogP2.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 110871165) is (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(n3cccn3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is NVFGWUZUMKRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-4-5-15(12-14(13)2)17(21)19-10-6-16(7-11-19)20-9-3-8-18-20/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110871165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).