[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C13H22ClN3O2 — CID 114779943

IUPAC[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(CN2CC(CO)OC(C)(C)C2)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-9-12(14)11(16(4)15-9)6-17-5-10(7-18)19-13(2,3)8-17/h10,18H,5-8H2,1-4H3
InChIKeyWPDQEJKSVFQXIJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.35
Rot. Bonds3

About [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779943) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779943
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(CN2CC(CO)OC(C)(C)C2)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-9-12(14)11(16(4)15-9)6-17-5-10(7-18)19-13(2,3)8-17/h10,18H,5-8H2,1-4H3
InChIKeyWPDQEJKSVFQXIJ-UHFFFAOYSA-N
XLogP1.35
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780668
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779886
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
CID 81209692
5-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-1-methylpyrazole-4-carboxylic acid
CID 114777296
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81116475
[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776448
[6,6-dimethyl-4-[(3-propylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 114779787
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779993
6-(chloromethyl)-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholine
CID 114780605

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779943) is [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is Cc1nn(C)c(CN2CC(CO)OC(C)(C)C2)c1Cl.
What is the InChIKey of [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is WPDQEJKSVFQXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-9-12(14)11(16(4)15-9)6-17-5-10(7-18)19-13(2,3)8-17/h10,18H,5-8H2,1-4H3.
What are the key properties of [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 287.79 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).