[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

C17H19N3O — CID 122138551

IUPAC[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1cccc(C2=CCN(C(=O)c3cn[nH]c3C)CC2)c1
InChIInChI=1S/C17H19N3O/c1-12-4-3-5-15(10-12)14-6-8-20(9-7-14)17(21)16-11-18-19-13(16)2/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyURJSTPYVMZZPJM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds2

About [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 122138551) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID122138551
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1cccc(C2=CCN(C(=O)c3cn[nH]c3C)CC2)c1
InChIInChI=1S/C17H19N3O/c1-12-4-3-5-15(10-12)14-6-8-20(9-7-14)17(21)16-11-18-19-13(16)2/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyURJSTPYVMZZPJM-UHFFFAOYSA-N
XLogP2.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 122138551) is [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1cccc(C2=CCN(C(=O)c3cn[nH]c3C)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is URJSTPYVMZZPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-4-3-5-15(10-12)14-6-8-20(9-7-14)17(21)16-11-18-19-13(16)2/h3-6,10-11H,7-9H2,1-2H3,(H,18,19).
What are the key properties of [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 122138551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).