5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine

C12H16N4O — CID 43554187

IUPAC5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCOc1cccc(Nc2c(N)c(C)nn2C)c1
InChIInChI=1S/C12H16N4O/c1-8-11(13)12(16(2)15-8)14-9-5-4-6-10(7-9)17-3/h4-7,14H,13H2,1-3H3
InChIKeyLSEXYKGDDFGHMZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.06
Rot. Bonds3

About 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554187) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554187
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCOc1cccc(Nc2c(N)c(C)nn2C)c1
InChIInChI=1S/C12H16N4O/c1-8-11(13)12(16(2)15-8)14-9-5-4-6-10(7-9)17-3/h4-7,14H,13H2,1-3H3
InChIKeyLSEXYKGDDFGHMZ-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

5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965215
5-N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 65469847
6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58345945
1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
CID 43554200
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea
CID 22434429
5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 103291777
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39894200
5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017245

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine (CID 43554187) is 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine is COc1cccc(Nc2c(N)c(C)nn2C)c1.
What is the InChIKey of 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is LSEXYKGDDFGHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-11(13)12(16(2)15-8)14-9-5-4-6-10(7-9)17-3/h4-7,14H,13H2,1-3H3.
What are the key properties of 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-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 5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).