3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one

C14H22ClN3O2 — CID 51389961

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESCc1nn(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1Cl
InChIInChI=1S/C14H22ClN3O2/c1-9-7-17(8-10(2)20-9)13(19)5-6-18-12(4)14(15)11(3)16-18/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyMBXIOHRNFBFNNX-UWVGGRQHSA-N
MW299.80 g/mol
LogP2.18
Rot. Bonds3

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 51389961) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
PubChem CID51389961
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESCc1nn(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1Cl
InChIInChI=1S/C14H22ClN3O2/c1-9-7-17(8-10(2)20-9)13(19)5-6-18-12(4)14(15)11(3)16-18/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyMBXIOHRNFBFNNX-UWVGGRQHSA-N
XLogP2.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one (CID 51389961) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one is Cc1nn(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is MBXIOHRNFBFNNX-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-9-7-17(8-10(2)20-9)13(19)5-6-18-12(4)14(15)11(3)16-18/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 299.80 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 51389961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).