[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

C20H25N3O2 — CID 83277174

IUPAC[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cccc(-n2cc(C3CCN(C(=O)C4CCCO4)CC3)cn2)c1
InChIInChI=1S/C20H25N3O2/c1-15-4-2-5-18(12-15)23-14-17(13-21-23)16-7-9-22(10-8-16)20(24)19-6-3-11-25-19/h2,4-5,12-14,16,19H,3,6-11H2,1H3
InChIKeyFWRGCXRLQNQXLE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.07
Rot. Bonds3

About [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 83277174) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID83277174
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cccc(-n2cc(C3CCN(C(=O)C4CCCO4)CC3)cn2)c1
InChIInChI=1S/C20H25N3O2/c1-15-4-2-5-18(12-15)23-14-17(13-21-23)16-7-9-22(10-8-16)20(24)19-6-3-11-25-19/h2,4-5,12-14,16,19H,3,6-11H2,1H3
InChIKeyFWRGCXRLQNQXLE-UHFFFAOYSA-N
XLogP3.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 53149314
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484974
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
CID 71842289
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 110394194
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 83277174) is [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is Cc1cccc(-n2cc(C3CCN(C(=O)C4CCCO4)CC3)cn2)c1.
What is the InChIKey of [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is FWRGCXRLQNQXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-4-2-5-18(12-15)23-14-17(13-21-23)16-7-9-22(10-8-16)20(24)19-6-3-11-25-19/h2,4-5,12-14,16,19H,3,6-11H2,1H3.
What are the key properties of [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 83277174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).