2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one

C20H27N3O2 — CID 100829075

IUPAC2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C20H27N3O2/c1-15-10-12-22(13-11-15)19(24)20(3,4)25-18-16(2)14-23(21-18)17-8-6-5-7-9-17/h5-9,14-15H,10-13H2,1-4H3
InChIKeyILJDFEQKVWVKRA-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.60
Rot. Bonds4

About 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one

2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 100829075) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID100829075
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C20H27N3O2/c1-15-10-12-22(13-11-15)19(24)20(3,4)25-18-16(2)14-23(21-18)17-8-6-5-7-9-17/h5-9,14-15H,10-13H2,1-4H3
InChIKeyILJDFEQKVWVKRA-UHFFFAOYSA-N
XLogP3.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 100830033
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 100819878
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42284583
2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 100829078
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
CID 100819889
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523412
N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
CID 100828971
2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82813575
4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110026747
[1-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949559
4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 56782671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one (CID 100829075) is 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one is Cc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ILJDFEQKVWVKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-10-12-22(13-11-15)19(24)20(3,4)25-18-16(2)14-23(21-18)17-8-6-5-7-9-17/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one?
2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 100829075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).