(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C12H13Cl2N3O — CID 105047303

IUPAC(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O/c1-17-12(9(18-2)6-16-17)11(15)7-4-3-5-8(13)10(7)14/h3-6,11H,15H2,1-2H3
InChIKeyWGNGQGDTUIKYEC-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.78
Rot. Bonds3

About (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 105047303) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID105047303
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O/c1-17-12(9(18-2)6-16-17)11(15)7-4-3-5-8(13)10(7)14/h3-6,11H,15H2,1-2H3
InChIKeyWGNGQGDTUIKYEC-UHFFFAOYSA-N
XLogP2.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065497
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339123
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047134
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
CID 105186319
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105046501

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 105047303) is (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is WGNGQGDTUIKYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-17-12(9(18-2)6-16-17)11(15)7-4-3-5-8(13)10(7)14/h3-6,11H,15H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 286.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105047303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).