(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine

C15H21N3O — CID 102804395

IUPAC(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cn(C)nc2C)cc1C
InChIInChI=1S/C15H21N3O/c1-9-7-14(19-5)10(2)6-12(9)15(16)13-8-18(4)17-11(13)3/h6-8,15H,16H2,1-5H3
InChIKeyHWBBHHOFWPYLDL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.40
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine

(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 102804395) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID102804395
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cn(C)nc2C)cc1C
InChIInChI=1S/C15H21N3O/c1-9-7-14(19-5)10(2)6-12(9)15(16)13-8-18(4)17-11(13)3/h6-8,15H,16H2,1-5H3
InChIKeyHWBBHHOFWPYLDL-UHFFFAOYSA-N
XLogP2.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 102803513
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105179062
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032745
(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 102812112

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 102804395) is (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2cn(C)nc2C)cc1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is HWBBHHOFWPYLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-7-14(19-5)10(2)6-12(9)15(16)13-8-18(4)17-11(13)3/h6-8,15H,16H2,1-5H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 102804395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).