1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine

C15H22N4 — CID 66013596

IUPAC1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
SMILESCCCc1ccc(Nc2c(N)c(C)nn2CC)cc1
InChIInChI=1S/C15H22N4/c1-4-6-12-7-9-13(10-8-12)17-15-14(16)11(3)18-19(15)5-2/h7-10,17H,4-6,16H2,1-3H3
InChIKeyAAOKYJLGHSRVOR-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.49
Rot. Bonds5

About 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine (PubChem CID 66013596) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
PubChem CID66013596
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
SMILESCCCc1ccc(Nc2c(N)c(C)nn2CC)cc1
InChIInChI=1S/C15H22N4/c1-4-6-12-7-9-13(10-8-12)17-15-14(16)11(3)18-19(15)5-2/h7-10,17H,4-6,16H2,1-3H3
InChIKeyAAOKYJLGHSRVOR-UHFFFAOYSA-N
XLogP3.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine (CID 66013596) is 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine is CCCc1ccc(Nc2c(N)c(C)nn2CC)cc1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine?
The InChIKey is AAOKYJLGHSRVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-6-12-7-9-13(10-8-12)17-15-14(16)11(3)18-19(15)5-2/h7-10,17H,4-6,16H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66013596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).