3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one

C17H29N3O2 — CID 70741068

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
SMILESCOCCCC1CCCN(C(=O)CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C17H29N3O2/c1-13-16(14(2)19-18-13)8-9-17(21)20-10-4-6-15(12-20)7-5-11-22-3/h15H,4-12H2,1-3H3,(H,18,19)
InChIKeyFTEDHZNDFWVCFK-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.62
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one (PubChem CID 70741068) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
PubChem CID70741068
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
SMILESCOCCCC1CCCN(C(=O)CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C17H29N3O2/c1-13-16(14(2)19-18-13)8-9-17(21)20-10-4-6-15(12-20)7-5-11-22-3/h15H,4-12H2,1-3H3,(H,18,19)
InChIKeyFTEDHZNDFWVCFK-UHFFFAOYSA-N
XLogP2.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72847481
3-{(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-morpholin-4-ylpiperidin-3-yl}propanoic acid
CID 72849332
(3R*,4R*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70754785
(1R*,3S*)-7-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70758097
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632
2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]piperazin-1-yl]-3-methylbutanenitrile
CID 71866879
(3R*,4R*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72843767
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]butan-1-one
CID 75470233
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 84594669

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one (CID 70741068) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one is COCCCC1CCCN(C(=O)CCc2c(C)n[nH]c2C)C1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
The InChIKey is FTEDHZNDFWVCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13-16(14(2)19-18-13)8-9-17(21)20-10-4-6-15(12-20)7-5-11-22-3/h15H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one has a molecular weight of 307.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70741068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).