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

C14H23N3O2 — CID 70710394

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one
SMILESCC[C@H]1COCCN1C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C14H23N3O2/c1-4-12-9-19-8-7-17(12)14(18)6-5-13-10(2)15-16-11(13)3/h12H,4-9H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyGKXRXWHZPQSLMC-LBPRGKRZSA-N
MW265.36 g/mol
LogP1.60
Rot. Bonds4

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one (PubChem CID 70710394) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one
PubChem CID70710394
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one
SMILESCC[C@H]1COCCN1C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C14H23N3O2/c1-4-12-9-19-8-7-17(12)14(18)6-5-13-10(2)15-16-11(13)3/h12H,4-9H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyGKXRXWHZPQSLMC-LBPRGKRZSA-N
XLogP1.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one with MolForge

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Related Compounds

N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 118740051
(1R*,5R*)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133119675
(1S*,5R*)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133138145
6-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-2-one
CID 112488695
(1S,5R)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70721138
{(3R*,4R*)-4-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}methanol
CID 70776655
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-(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
1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4,4-difluoropiperidine
CID 74239325

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one (CID 70710394) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one is CC[C@H]1COCCN1C(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one?
The InChIKey is GKXRXWHZPQSLMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12-9-19-8-7-17(12)14(18)6-5-13-10(2)15-16-11(13)3/h12H,4-9H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-ethylmorpholin-4-yl]propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.60, 4 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-[(3S)-3-ethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 70710394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).