(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine

C14H19N3O — CID 114255334

IUPAC(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine
SMILESCOc1cc(C(N)c2cc(C)cc(C)c2)nn1C
InChIInChI=1S/C14H19N3O/c1-9-5-10(2)7-11(6-9)14(15)12-8-13(18-4)17(3)16-12/h5-8,14H,15H2,1-4H3
InChIKeyOKHUXSUMELENGK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.09
Rot. Bonds3

About (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine

(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine (PubChem CID 114255334) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine
PubChem CID114255334
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine
SMILESCOc1cc(C(N)c2cc(C)cc(C)c2)nn1C
InChIInChI=1S/C14H19N3O/c1-9-5-10(2)7-11(6-9)14(15)12-8-13(18-4)17(3)16-12/h5-8,14H,15H2,1-4H3
InChIKeyOKHUXSUMELENGK-UHFFFAOYSA-N
XLogP2.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine (CID 114255334) is (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine is COc1cc(C(N)c2cc(C)cc(C)c2)nn1C.
What is the InChIKey of (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine?
The InChIKey is OKHUXSUMELENGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-5-10(2)7-11(6-9)14(15)12-8-13(18-4)17(3)16-12/h5-8,14H,15H2,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine?
(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114255334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).