[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone

C18H23N3O — CID 20918344

IUPAC[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3C)[nH]n2)cc1C
InChIInChI=1S/C18H23N3O/c1-12-7-8-15(10-13(12)2)16-11-17(20-19-16)18(22)21-9-5-4-6-14(21)3/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyHLWSYHZFDGZOOY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds2

About [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone

[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 20918344) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID20918344
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3C)[nH]n2)cc1C
InChIInChI=1S/C18H23N3O/c1-12-7-8-15(10-13(12)2)16-11-17(20-19-16)18(22)21-9-5-4-6-14(21)3/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyHLWSYHZFDGZOOY-UHFFFAOYSA-N
XLogP3.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-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 [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone (CID 20918344) is [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCCCC3C)[nH]n2)cc1C.
What is the InChIKey of [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is HLWSYHZFDGZOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-7-8-15(10-13(12)2)16-11-17(20-19-16)18(22)21-9-5-4-6-14(21)3/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 20918344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).