3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline

C14H18ClN3O2 — CID 115628881

IUPAC3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2c(C)nn(C)c2OC)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-9-11(14(20-4)18(2)17-9)8-16-10-5-6-13(19-3)12(15)7-10/h5-7,16H,8H2,1-4H3
InChIKeyVRRZZKBQJNXDQI-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.01
Rot. Bonds5

About 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline

3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline (PubChem CID 115628881) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
PubChem CID115628881
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2c(C)nn(C)c2OC)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-9-11(14(20-4)18(2)17-9)8-16-10-5-6-13(19-3)12(15)7-10/h5-7,16H,8H2,1-4H3
InChIKeyVRRZZKBQJNXDQI-UHFFFAOYSA-N
XLogP3.01
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline 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

3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 107268146
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
CID 115777064
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 115742828
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690
4-bromo-2,3-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 107787532
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 66543602
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline
CID 75518344
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 99608139

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline (CID 115628881) is 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline is COc1ccc(NCc2c(C)nn(C)c2OC)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
The InChIKey is VRRZZKBQJNXDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-11(14(20-4)18(2)17-9)8-16-10-5-6-13(19-3)12(15)7-10/h5-7,16H,8H2,1-4H3.
What are the key properties of 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline has a molecular weight of 295.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 115628881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).