5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine

C13H18N4O — CID 54965215

IUPAC5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCOCc1cccc(Nc2c(N)c(C)nn2C)c1
InChIInChI=1S/C13H18N4O/c1-9-12(14)13(17(2)16-9)15-11-6-4-5-10(7-11)8-18-3/h4-7,15H,8,14H2,1-3H3
InChIKeyYANAEWGVHGTFEM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds4

About 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine

5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 54965215) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
PubChem CID54965215
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCOCc1cccc(Nc2c(N)c(C)nn2C)c1
InChIInChI=1S/C13H18N4O/c1-9-12(14)13(17(2)16-9)15-11-6-4-5-10(7-11)8-18-3/h4-7,15H,8,14H2,1-3H3
InChIKeyYANAEWGVHGTFEM-UHFFFAOYSA-N
XLogP2.20
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine (CID 54965215) is 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine is COCc1cccc(Nc2c(N)c(C)nn2C)c1.
What is the InChIKey of 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is YANAEWGVHGTFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-12(14)13(17(2)16-9)15-11-6-4-5-10(7-11)8-18-3/h4-7,15H,8,14H2,1-3H3.
What are the key properties of 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine?
5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 54965215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).