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

C17H29N3O2 — CID 70775534

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
SMILESCOCCCC1CCCN(C(=O)CCc2n[nH]c(C)c2C)C1
InChIInChI=1S/C17H29N3O2/c1-13-14(2)18-19-16(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)
InChIKeyVMPLDTSFTFALBZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.62
Rot. Bonds7

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

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one (PubChem CID 70775534) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
PubChem CID70775534
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
SMILESCOCCCC1CCCN(C(=O)CCc2n[nH]c(C)c2C)C1
InChIInChI=1S/C17H29N3O2/c1-13-14(2)18-19-16(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)
InChIKeyVMPLDTSFTFALBZ-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-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
(1R*,5R*)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133119675
[4-(2-methoxyethyl)piperidino](4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53150910
7-(2,2-dimethylpropyl)-2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 56912204
3-{(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-morpholin-4-ylpiperidin-3-yl}propanoic acid
CID 72849332
2-(Cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-YL)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72877405
2-[3-(4,5-Dimethyl-1H-pyrazol-3-YL)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72926411
(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
(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-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
CID 72906328

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one (CID 70775534) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one is COCCCC1CCCN(C(=O)CCc2n[nH]c(C)c2C)C1.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
The InChIKey is VMPLDTSFTFALBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13-14(2)18-19-16(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-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-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-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methoxypropyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70775534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).