1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine

C12H16N4O — CID 23298690

IUPAC1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1-c1ccccc1OC
InChIInChI=1S/C12H16N4O/c1-3-16-11(10(13)12(14)15-16)8-6-4-5-7-9(8)17-2/h4-7H,3,13H2,1-2H3,(H2,14,15)
InChIKeyOWXJHZWICWMSQV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.74
Rot. Bonds3

About 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine

1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine (PubChem CID 23298690) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine
PubChem CID23298690
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1-c1ccccc1OC
InChIInChI=1S/C12H16N4O/c1-3-16-11(10(13)12(14)15-16)8-6-4-5-7-9(8)17-2/h4-7H,3,13H2,1-2H3,(H2,14,15)
InChIKeyOWXJHZWICWMSQV-UHFFFAOYSA-N
XLogP1.74
TPSA79.09 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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82207271
5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine
CID 23298691
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
1-benzyl-4-chloro-3,5-bis(2-methoxyphenyl)pyrazole
CID 19587127
5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66013664
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
2-acridin-9-yl-6-methoxyaniline
CID 150368327
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole
CID 19586867
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine?
The IUPAC name of 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine (CID 23298690) is 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine is CCn1nc(N)c(N)c1-c1ccccc1OC.
What is the InChIKey of 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine?
The InChIKey is OWXJHZWICWMSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-16-11(10(13)12(14)15-16)8-6-4-5-7-9(8)17-2/h4-7H,3,13H2,1-2H3,(H2,14,15).
What are the key properties of 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine?
1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine is sourced from PubChem (CID 23298690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).