4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine

C11H17Cl2N3O — CID 81209692

IUPAC4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
SMILESCc1nn(C)c(CN2CCOC(CCl)C2)c1Cl
InChIInChI=1S/C11H17Cl2N3O/c1-8-11(13)10(15(2)14-8)7-16-3-4-17-9(5-12)6-16/h9H,3-7H2,1-2H3
InChIKeyOTIZTFFWKMZLSI-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.82
Rot. Bonds3

About 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine

4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine (PubChem CID 81209692) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
PubChem CID81209692
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
SMILESCc1nn(C)c(CN2CCOC(CCl)C2)c1Cl
InChIInChI=1S/C11H17Cl2N3O/c1-8-11(13)10(15(2)14-8)7-16-3-4-17-9(5-12)6-16/h9H,3-7H2,1-2H3
InChIKeyOTIZTFFWKMZLSI-UHFFFAOYSA-N
XLogP1.82
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779943
1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129338754
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95287197
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81116475
2-(chloromethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
CID 81212496
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247717
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093524
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
2-(chloromethyl)-4-(2-methoxyethyl)morpholine
CID 71380067

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine?
The IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine (CID 81209692) is 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine.
What is the SMILES notation for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine?
The canonical SMILES for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine is Cc1nn(C)c(CN2CCOC(CCl)C2)c1Cl.
What is the InChIKey of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine?
The InChIKey is OTIZTFFWKMZLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O/c1-8-11(13)10(15(2)14-8)7-16-3-4-17-9(5-12)6-16/h9H,3-7H2,1-2H3.
What are the key properties of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine?
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine has a molecular weight of 278.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine is sourced from PubChem (CID 81209692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).