3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one

C20H23N5O — CID 50978526

IUPAC3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one
SMILESCc1ccccc1-n1cc(C2=CCN(CCn3cc[nH]c3=O)CC2)cn1
InChIInChI=1S/C20H23N5O/c1-16-4-2-3-5-19(16)25-15-18(14-22-25)17-6-9-23(10-7-17)12-13-24-11-8-21-20(24)26/h2-6,8,11,14-15H,7,9-10,12-13H2,1H3,(H,21,26)
InChIKeyLILQSBGPOXPTGC-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.46
Rot. Bonds5

About 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 50978526) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID50978526
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one
SMILESCc1ccccc1-n1cc(C2=CCN(CCn3cc[nH]c3=O)CC2)cn1
InChIInChI=1S/C20H23N5O/c1-16-4-2-3-5-19(16)25-15-18(14-22-25)17-6-9-23(10-7-17)12-13-24-11-8-21-20(24)26/h2-6,8,11,14-15H,7,9-10,12-13H2,1H3,(H,21,26)
InChIKeyLILQSBGPOXPTGC-UHFFFAOYSA-N
XLogP2.46
TPSA58.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one 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-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one (CID 50978526) is 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one is Cc1ccccc1-n1cc(C2=CCN(CCn3cc[nH]c3=O)CC2)cn1.
What is the InChIKey of 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is LILQSBGPOXPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16-4-2-3-5-19(16)25-15-18(14-22-25)17-6-9-23(10-7-17)12-13-24-11-8-21-20(24)26/h2-6,8,11,14-15H,7,9-10,12-13H2,1H3,(H,21,26).
What are the key properties of 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 50978526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).