1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone

C20H19N3O — CID 139380585

IUPAC1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(Cc2ccc(-n3cccn3)cc2)c(C2CC2)cn1
InChIInChI=1S/C20H19N3O/c1-14(24)20-12-17(19(13-21-20)16-5-6-16)11-15-3-7-18(8-4-15)23-10-2-9-22-23/h2-4,7-10,12-13,16H,5-6,11H2,1H3
InChIKeyTWECSIDCLHDKJG-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.94
Rot. Bonds5

About 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone

1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone (PubChem CID 139380585) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
PubChem CID139380585
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(Cc2ccc(-n3cccn3)cc2)c(C2CC2)cn1
InChIInChI=1S/C20H19N3O/c1-14(24)20-12-17(19(13-21-20)16-5-6-16)11-15-3-7-18(8-4-15)23-10-2-9-22-23/h2-4,7-10,12-13,16H,5-6,11H2,1H3
InChIKeyTWECSIDCLHDKJG-UHFFFAOYSA-N
XLogP3.94
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017486
1-[5-(difluoromethoxy)-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 129045080
N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663267
N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129045248
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017476
N-(3,3-difluorocyclopentyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663229
N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663243
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 159700892
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol
CID 125491841
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 102784560

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone (CID 139380585) is 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone is CC(=O)c1cc(Cc2ccc(-n3cccn3)cc2)c(C2CC2)cn1.
What is the InChIKey of 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone?
The InChIKey is TWECSIDCLHDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14(24)20-12-17(19(13-21-20)16-5-6-16)11-15-3-7-18(8-4-15)23-10-2-9-22-23/h2-4,7-10,12-13,16H,5-6,11H2,1H3.
What are the key properties of 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone?
1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 139380585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).