3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine

C12H16N4O — CID 103078443

IUPAC3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
SMILESCOc1ccc(Nc2nn(C)cc2N)c(C)c1
InChIInChI=1S/C12H16N4O/c1-8-6-9(17-3)4-5-11(8)14-12-10(13)7-16(2)15-12/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyYJFLALHMAQVELJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.06
Rot. Bonds3

About 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine

3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078443) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
PubChem CID103078443
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
SMILESCOc1ccc(Nc2nn(C)cc2N)c(C)c1
InChIInChI=1S/C12H16N4O/c1-8-6-9(17-3)4-5-11(8)14-12-10(13)7-16(2)15-12/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyYJFLALHMAQVELJ-UHFFFAOYSA-N
XLogP2.06
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740
3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103077980
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 62872595
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
CID 66012072
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine (CID 103078443) is 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine is COc1ccc(Nc2nn(C)cc2N)c(C)c1.
What is the InChIKey of 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is YJFLALHMAQVELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-6-9(17-3)4-5-11(8)14-12-10(13)7-16(2)15-12/h4-7H,13H2,1-3H3,(H,14,15).
What are the key properties of 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine?
3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).